N-[(2S)-4-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]pentan-2-yl]-5-(2-piperazin-1-ylethoxy)-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-4-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]pentan-2-yl]-5-(2-piperazin-1-ylethoxy)-1-benzofuran-2-carboxamide Openeye Name: N-[(1S)-3-methyl-1-[[3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]butyl]-5-(2-piperazin-1-ylethoxy)benzofuran-2-carboxamide CAS Name: N-[(2S)-4-methyl-1-oxo-1-[[3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]pentan-2-yl]-5-[2-(1-piperazinyl)ethoxy]-2-benzofurancarboxamide IUPAC Name: N-[(2S)-4-methyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]pentan-2-yl]-5-(2-piperazin-1-ylethoxy)-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-1-[[3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-3-methyl-butyl]-5-(2-piperazinoethoxy)coumarilamide Formula: C32H42N6O7S MolecularWeight: 654.77688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=CC4=C(O3)C=CC(=C4)OCCN5CCNCC5

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=CC4=C(O3)C=CC(=C4)OCCN5CCNCC5

InChI

InChI=1S/C32H42N6O7S/c1-22(2)18-26(31(40)35-25-6-5-13-38(21-27(25)39)46(42,43)30-7-3-4-10-34-30)36-32(41)29-20-23-19-24(8-9-28(23)45-29)44-17-16-37-14-11-33-12-15-37/h3-4,7-10,19-20,22,25-26,33H,5-6,11-18,21H2,1-2H3,(H,35,40)(H,36,41)/t25?,26-/m0/s1