1-(3-chloranyl-4-methyl-phenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide Openeye Name: 1-(3-chloro-4-methyl-phenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide CAS Name: 1-(3-chloro-4-methylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: 1-(3-chloro-4-methylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-(3-chloro-4-methyl-phenyl)sulfonyl-N-p-anisyl-nipecotamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)OC)Cl

InChI

InChI=1S/C21H25ClN2O4S/c1-15-5-10-19(12-20(15)22)29(26,27)24-11-3-4-17(14-24)21(25)23-13-16-6-8-18(28-2)9-7-16/h5-10,12,17H,3-4,11,13-14H2,1-2H3,(H,23,25)