1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(2,3-dimethyl-5-nitrophenyl)sulfonyl-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-benzyl-1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c1-15-12-19(24(26)27)13-20(16(15)2)30(28,29)23-10-8-18(9-11-23)21(25)22-14-17-6-4-3-5-7-17/h3-7,12-13,18H,8-11,14H2,1-2H3,(H,22,25)