N-(6-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-benzyl-1-besyl-N-(6-methyl-1,3-benzothiazol-2-yl)nipecotamide Formula: C27H27N3O3S2 MolecularWeight: 505.65158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O3S2/c1-20-14-15-24-25(17-20)34-27(28-24)30(18-21-9-4-2-5-10-21)26(31)22-11-8-16-29(19-22)35(32,33)23-12-6-3-7-13-23/h2-7,9-10,12-15,17,22H,8,11,16,18-19H2,1H3