(3R)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-N-(3-nitrophenyl)piperidine-3-carboxamide

Systemtic Name: (3R)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-N-(3-nitrophenyl)piperidine-3-carboxamide Openeye Name: (3R)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-(3-nitrophenyl)piperidine-3-carboxamide CAS Name: (3R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)-3-piperidinecarboxamide IUPAC Name: (3R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)piperidine-3-carboxamide Traditional Name: (3R)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-(3-nitrophenyl)nipecotamide Formula: C19H20ClN3O6S MolecularWeight: 453.8966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H20ClN3O6S/c1-29-18-8-7-16(11-17(18)20)30(27,28)22-9-3-4-13(12-22)19(24)21-14-5-2-6-15(10-14)23(25)26/h2,5-8,10-11,13H,3-4,9,12H2,1H3,(H,21,24)/t13-/m1/s1