N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C27H27N3O4S2 MolecularWeight: 521.65098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H27N3O4S2/c1-34-22-11-13-23(14-12-22)36(32,33)29-17-15-21(16-18-29)26(31)30(19-20-7-3-2-4-8-20)27-28-24-9-5-6-10-25(24)35-27/h2-14,21H,15-19H2,1H3