N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-p-phenetylsulfonyl-isonipecotamide Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H29N3O4S2/c1-2-31-19-9-11-20(12-10-19)33(29,30)27-16-13-18(14-17-27)24(28)25-15-5-8-23-26-21-6-3-4-7-22(21)32-23/h3-4,6-7,9-12,18H,2,5,8,13-17H2,1H3,(H,25,28)