1-(4-methylphenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-tosyl-isonipecotamide Formula: C29H32N4O3S2 MolecularWeight: 548.71938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CC3=CN=CC=C3)C4=NC5=C(C=CC=C5S4)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CC3=CN=CC=C3)C4=NC5=C(C=CC=C5S4)C(C)C

InChI

InChI=1S/C29H32N4O3S2/c1-20(2)25-7-4-8-26-27(25)31-29(37-26)33(19-22-6-5-15-30-18-22)28(34)23-13-16-32(17-14-23)38(35,36)24-11-9-21(3)10-12-24/h4-12,15,18,20,23H,13-14,16-17,19H2,1-3H3