N-[4-[azanyl(phenyl)amino]-2-methyl-4-oxidanylidene-3-sulfonyl-butan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-[4-[azanyl(phenyl)amino]-2-methyl-4-oxidanylidene-3-sulfonyl-butan-2-yl]pyrrolidine-2-carboxamide Openeye Name: N-[3-(N-aminoanilino)-1,1-dimethyl-3-oxo-2-sulfonyl-propyl]pyrrolidine-2-carboxamide CAS Name: N-[4-(N-aminoanilino)-2-methyl-4-oxo-3-sulfonylbutan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: N-[4-(N-aminoanilino)-2-methyl-4-oxo-3-sulfonylbutan-2-yl]pyrrolidine-2-carboxamide Traditional Name: N-[3-(N-aminoanilino)-3-keto-1,1-dimethyl-2-sulfonyl-propyl]pyrrolidine-2-carboxamide Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=S(=O)=O)C(=O)N(C1=CC=CC=C1)N)NC(=O)C2CCCN2

Isomeric SMILES

CC(C)(C(=S(=O)=O)C(=O)N(C1=CC=CC=C1)N)NC(=O)C2CCCN2

InChI

InChI=1S/C16H22N4O4S/c1-16(2,19-14(21)12-9-6-10-18-12)13(25(23)24)15(22)20(17)11-7-4-3-5-8-11/h3-5,7-8,12,18H,6,9-10,17H2,1-2H3,(H,19,21)