(2S)-2-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-methyl-butanamide

Systemtic Name: (2S)-2-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-methyl-butanamide Openeye Name: (2S)-2-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-methyl-butanamide CAS Name: (2S)-2-acetamido-N-[4-(1-azepanylsulfonyl)phenyl]-3-methylbutanamide IUPAC Name: (2S)-2-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-methylbutanamide Traditional Name: (2S)-2-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-methyl-butyramide Formula: C19H29N3O4S MolecularWeight: 395.51626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C

InChI

InChI=1S/C19H29N3O4S/c1-14(2)18(20-15(3)23)19(24)21-16-8-10-17(11-9-16)27(25,26)22-12-6-4-5-7-13-22/h8-11,14,18H,4-7,12-13H2,1-3H3,(H,20,23)(H,21,24)/t18-/m0/s1