N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Traditional Name: 1-besyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)nipecotamide Formula: C26H29N5O3S2 MolecularWeight: 523.67016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CCN3C=CC=N3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CCN3C=CC=N3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C26H29N5O3S2/c1-19-16-20(2)24-23(17-19)35-26(28-24)31(15-14-29-12-7-11-27-29)25(32)21-8-6-13-30(18-21)36(33,34)22-9-4-3-5-10-22/h3-5,7,9-12,16-17,21H,6,8,13-15,18H2,1-2H3