N-butyl-2-[2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzamide

Systemtic Name: N-butyl-2-[2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzamide Openeye Name: 2-[[2-[N-(benzenesulfonyl)-3-nitro-anilino]acetyl]amino]-N-butyl-benzamide CAS Name: 2-[[2-[N-(benzenesulfonyl)-3-nitroanilino]-1-oxoethyl]amino]-N-butylbenzamide IUPAC Name: 2-[[2-[N-(benzenesulfonyl)-3-nitroanilino]acetyl]amino]-N-butylbenzamide Traditional Name: 2-[[2-(N-besyl-3-nitro-anilino)acetyl]amino]-N-butyl-benzamide Formula: C25H26N4O6S MolecularWeight: 510.56214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H26N4O6S/c1-2-3-16-26-25(31)22-14-7-8-15-23(22)27-24(30)18-28(19-10-9-11-20(17-19)29(32)33)36(34,35)21-12-5-4-6-13-21/h4-15,17H,2-3,16,18H2,1H3,(H,26,31)(H,27,30)