4-[(4-methoxyphenyl)sulfonyl-methyl-amino]-N-(3-nitrophenyl)butanamide

Systemtic Name: 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]-N-(3-nitrophenyl)butanamide Openeye Name: 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]-N-(3-nitrophenyl)butanamide CAS Name: 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide IUPAC Name: 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide Traditional Name: 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]-N-(3-nitrophenyl)butyramide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CN(CCCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H21N3O6S/c1-20(28(25,26)17-10-8-16(27-2)9-11-17)12-4-7-18(22)19-14-5-3-6-15(13-14)21(23)24/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,19,22)