3-methyl-N-[(2S)-4-methyl-1-[[1-(3-methylpyridin-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-pentan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-methyl-N-[(2S)-4-methyl-1-[[1-(3-methylpyridin-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-pentan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: 3-methyl-N-[(1S)-3-methyl-1-[[1-[(3-methyl-2-pyridyl)sulfonyl]-3-oxo-azepan-4-yl]carbamoyl]butyl]benzofuran-2-carboxamide CAS Name: 3-methyl-N-[(2S)-4-methyl-1-[[1-[(3-methyl-2-pyridinyl)sulfonyl]-3-oxo-4-azepanyl]amino]-1-oxopentan-2-yl]-2-benzofurancarboxamide IUPAC Name: 3-methyl-N-[(2S)-4-methyl-1-[[1-(3-methylpyridin-2-yl)sulfonyl-3-oxoazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-1-[[3-keto-1-[(3-methyl-2-pyridyl)sulfonyl]azepan-4-yl]carbamoyl]-3-methyl-butyl]-3-methyl-coumarilamide Formula: C28H34N4O6S MolecularWeight: 554.65776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)S(=O)(=O)N2CCCC(C(=O)C2)NC(=O)C(CC(C)C)NC(=O)C3=C(C4=CC=CC=C4O3)C

Isomeric SMILES

CC1=C(N=CC=C1)S(=O)(=O)N2CCCC(C(=O)C2)NC(=O)[C@H](CC(C)C)NC(=O)C3=C(C4=CC=CC=C4O3)C

InChI

InChI=1S/C28H34N4O6S/c1-17(2)15-22(31-27(35)25-19(4)20-10-5-6-12-24(20)38-25)26(34)30-21-11-8-14-32(16-23(21)33)39(36,37)28-18(3)9-7-13-29-28/h5-7,9-10,12-13,17,21-22H,8,11,14-16H2,1-4H3,(H,30,34)(H,31,35)/t21?,22-/m0/s1