(2S)-2-(aminocarbonylamino)-3-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide

Systemtic Name: (2S)-2-(aminocarbonylamino)-3-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide Openeye Name: (2S)-3-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-ureido-butanamide CAS Name: (2S)-2-(carbamoylamino)-3-methyl-N-[3-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: (2S)-2-(carbamoylamino)-3-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: (2S)-3-methyl-N-(3-pyrrolidinosulfonylphenyl)-2-ureido-butyramide Formula: C16H24N4O4S MolecularWeight: 368.45116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2)NC(=O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2)NC(=O)N

InChI

InChI=1S/C16H24N4O4S/c1-11(2)14(19-16(17)22)15(21)18-12-6-5-7-13(10-12)25(23,24)20-8-3-4-9-20/h5-7,10-11,14H,3-4,8-9H2,1-2H3,(H,18,21)(H3,17,19,22)/t14-/m0/s1