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

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-(3-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(3-acetylphenyl)sulfonyl-N-(6-butyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(3-acetylphenyl)sulfonyl-N-(6-butyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(3-acetylphenyl)sulfonyl-N-(6-butyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(3-acetylphenyl)sulfonyl-N-(6-butyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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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(=C4)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4S2/c1-3-4-6-18-9-10-22-23(15-18)33-25(26-22)27-24(30)19-11-13-28(14-12-19)34(31,32)21-8-5-7-20(16-21)17(2)29/h5,7-10,15-16,19H,3-4,6,11-14H2,1-2H3,(H,26,27,30)