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

Systemtic Name: N-[(2S)-4-methyl-1-oxidanylidene-1-[[3-oxidanylidene-1-(phenylsulfonyl)azepan-4-yl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[(1S)-1-[[1-(benzenesulfonyl)-3-oxo-azepan-4-yl]carbamoyl]-3-methyl-butyl]benzofuran-2-carboxamide CAS Name: N-[(2S)-1-[[1-(benzenesulfonyl)-3-oxo-4-azepanyl]amino]-4-methyl-1-oxopentan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[(2S)-1-[[1-(benzenesulfonyl)-3-oxoazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-1-[(1-besyl-3-keto-azepan-4-yl)carbamoyl]-3-methyl-butyl]coumarilamide Formula: C27H31N3O6S MolecularWeight: 525.61654

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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=CC=CC=C4O3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C27H31N3O6S/c1-18(2)15-22(29-27(33)25-16-19-9-6-7-13-24(19)36-25)26(32)28-21-12-8-14-30(17-23(21)31)37(34,35)20-10-4-3-5-11-20/h3-7,9-11,13,16,18,21-22H,8,12,14-15,17H2,1-2H3,(H,28,32)(H,29,33)/t21?,22-/m0/s1