N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-pyrazol-1-ylethyl)benzamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-pyrazol-1-ylethyl)benzamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-methyl-1-piperidyl)sulfonyl]-N-(2-pyrazol-1-ylethyl)benzamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-methyl-1-piperidinyl)sulfonyl]-N-[2-(1-pyrazolyl)ethyl]benzamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-pyrazol-1-ylethyl)benzamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(3-methylpiperidino)sulfonyl-N-(2-pyrazol-1-ylethyl)benzamide Formula: C27H31N5O3S2 MolecularWeight: 537.69674

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(C=C(C=C5S4)C)C

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(C=C(C=C5S4)C)C

InChI

InChI=1S/C27H31N5O3S2/c1-19-6-4-13-31(18-19)37(34,35)23-9-7-22(8-10-23)26(33)32(15-14-30-12-5-11-28-30)27-29-25-21(3)16-20(2)17-24(25)36-27/h5,7-12,16-17,19H,4,6,13-15,18H2,1-3H3