3-methyl-4-nitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide

Systemtic Name: 3-methyl-4-nitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide Openeye Name: 3-methyl-4-nitro-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]benzamide CAS Name: 3-methyl-4-nitro-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]benzamide IUPAC Name: 3-methyl-4-nitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide Traditional Name: 3-methyl-4-nitro-N-(4-piperidinosulfonylbenzyl)benzamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-15-13-17(7-10-19(15)23(25)26)20(24)21-14-16-5-8-18(9-6-16)29(27,28)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12,14H2,1H3,(H,21,24)