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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide Traditional Name: 1-besyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)nipecotamide Formula: C26H26N4O3S2 MolecularWeight: 506.63964

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H26N4O3S2/c1-19-11-12-23-24(15-19)34-26(28-23)30(17-20-7-5-13-27-16-20)25(31)21-8-6-14-29(18-21)35(32,33)22-9-3-2-4-10-22/h2-5,7,9-13,15-16,21H,6,8,14,17-18H2,1H3