N-(6-butyl-1,3-benzothiazol-2-yl)-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-(2-cyanophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-(2-cyanophenyl)sulfonyl-isonipecotamide Formula: C24H26N4O3S2 MolecularWeight: 482.61824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H26N4O3S2/c1-2-3-6-17-9-10-20-21(15-17)32-24(26-20)27-23(29)18-11-13-28(14-12-18)33(30,31)22-8-5-4-7-19(22)16-25/h4-5,7-10,15,18H,2-3,6,11-14H2,1H3,(H,26,27,29)