(2S)-N-[(3-acetamidophenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanamide

Systemtic Name: (2S)-N-[(3-acetamidophenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanamide Openeye Name: (2S)-N-[(3-acetamidophenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanamide CAS Name: (2S)-N-[(3-acetamidophenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide IUPAC Name: (2S)-N-[(3-acetamidophenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide Traditional Name: (2S)-N-(3-acetamidobenzyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butyramide Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC(=CC=C1)NC(=O)C)NS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC(=CC=C1)NC(=O)C)NS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H27N3O5S/c1-14(2)20(24-30(27,28)19-10-8-18(29-4)9-11-19)21(26)22-13-16-6-5-7-17(12-16)23-15(3)25/h5-12,14,20,24H,13H2,1-4H3,(H,22,26)(H,23,25)/t20-/m0/s1