4-[[methyl-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]methyl]benzamide

Systemtic Name: 4-[[methyl-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]methyl]benzamide Openeye Name: 4-[[N-methyl-4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-anilino]methyl]benzamide CAS Name: 4-[[N-methyl-4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitroanilino]methyl]benzamide IUPAC Name: 4-[[N-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitroanilino]methyl]benzamide Traditional Name: 4-[[N-methyl-4-(3-methylpiperidino)sulfonyl-2-nitro-anilino]methyl]benzamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-15-4-3-11-24(13-15)31(29,30)18-9-10-19(20(12-18)25(27)28)23(2)14-16-5-7-17(8-6-16)21(22)26/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H2,22,26)