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

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide Openeye Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(1-phenylethyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-(1-phenylethyl)isonipecotamide Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H22ClN3O5S/c1-14(15-5-3-2-4-6-15)22-20(25)16-9-11-23(12-10-16)30(28,29)19-13-17(24(26)27)7-8-18(19)21/h2-8,13-14,16H,9-12H2,1H3,(H,22,25)