N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C4CCCCC4

Isomeric SMILES

CN(CC1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C4CCCCC4

InChI

InChI=1S/C27H37N3O4S/c1-29(23-11-4-3-5-12-23)19-21-9-6-7-13-26(21)28-27(31)22-10-8-18-30(20-22)35(32,33)25-16-14-24(34-2)15-17-25/h6-7,9,13-17,22-23H,3-5,8,10-12,18-20H2,1-2H3,(H,28,31)