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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-[2-(1-pyrazolyl)ethyl]-3-piperidinecarboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)nipecotamide Formula: C27H31N5O4S2 MolecularWeight: 553.69614

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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=C(C=C5)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O4S2/c1-19-16-20(2)25-24(17-19)37-27(29-25)32(15-14-30-12-5-11-28-30)26(33)21-6-4-13-31(18-21)38(34,35)23-9-7-22(36-3)8-10-23/h5,7-12,16-17,21H,4,6,13-15,18H2,1-3H3