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

Systemtic Name: N-[(2S)-4-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-thiophen-2-ylsulfonyl-azepan-4-yl)amino]pentan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[(1S)-3-methyl-1-[[3-oxo-1-(2-thienylsulfonyl)azepan-4-yl]carbamoyl]butyl]benzofuran-2-carboxamide CAS Name: N-[(2S)-4-methyl-1-oxo-1-[(3-oxo-1-thiophen-2-ylsulfonyl-4-azepanyl)amino]pentan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[(2S)-4-methyl-1-oxo-1-[(3-oxo-1-thiophen-2-ylsulfonylazepan-4-yl)amino]pentan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-1-[[3-keto-1-(2-thienylsulfonyl)azepan-4-yl]carbamoyl]-3-methyl-butyl]coumarilamide Formula: C25H29N3O6S2 MolecularWeight: 531.64426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CS2)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CS2)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C25H29N3O6S2/c1-16(2)13-19(27-25(31)22-14-17-7-3-4-9-21(17)34-22)24(30)26-18-8-5-11-28(15-20(18)29)36(32,33)23-10-6-12-35-23/h3-4,6-7,9-10,12,14,16,18-19H,5,8,11,13,15H2,1-2H3,(H,26,30)(H,27,31)/t18?,19-/m0/s1