1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-(1-phenylethyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(1-phenylethyl)isonipecotamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C3=CC=CC=C3

InChI

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