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

Systemtic Name: N-[4-methyl-1-oxidanylidene-1-[[3-oxidanylidene-1-(phenylsulfonyl)azepan-4-yl]amino]pentan-2-yl]-5-(2-piperazin-1-ylethoxy)-1-benzofuran-2-carboxamide Openeye Name: N-[1-[[1-(benzenesulfonyl)-3-oxo-azepan-4-yl]carbamoyl]-3-methyl-butyl]-5-(2-piperazin-1-ylethoxy)benzofuran-2-carboxamide CAS Name: N-[1-[[1-(benzenesulfonyl)-3-oxo-4-azepanyl]amino]-4-methyl-1-oxopentan-2-yl]-5-[2-(1-piperazinyl)ethoxy]-2-benzofurancarboxamide IUPAC Name: N-[1-[[1-(benzenesulfonyl)-3-oxoazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-(2-piperazin-1-ylethoxy)-1-benzofuran-2-carboxamide Traditional Name: N-[1-[(1-besyl-3-keto-azepan-4-yl)carbamoyl]-3-methyl-butyl]-5-(2-piperazinoethoxy)coumarilamide Formula: C33H43N5O7S MolecularWeight: 653.78882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H43N5O7S/c1-23(2)19-28(32(40)35-27-9-6-14-38(22-29(27)39)46(42,43)26-7-4-3-5-8-26)36-33(41)31-21-24-20-25(10-11-30(24)45-31)44-18-17-37-15-12-34-13-16-37/h3-5,7-8,10-11,20-21,23,27-28,34H,6,9,12-19,22H2,1-2H3,(H,35,40)(H,36,41)