N-[(S)-cyclopropyl(phenyl)methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(S)-cyclopropyl(phenyl)methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(S)-cyclopropyl(phenyl)methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(S)-cyclopropyl(phenyl)methyl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(S)-cyclopropyl(phenyl)methyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(S)-cyclopropyl(phenyl)methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C23H27N3O5S MolecularWeight: 457.54258

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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(C3CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O5S/c1-16-7-10-20(26(28)29)15-21(16)32(30,31)25-13-11-19(12-14-25)23(27)24-22(18-8-9-18)17-5-3-2-4-6-17/h2-7,10,15,18-19,22H,8-9,11-14H2,1H3,(H,24,27)/t22-/m1/s1