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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Traditional Name: 1-besyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-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=CC=CC=N3)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=N3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CC=C5

InChI

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