1-(4-ethoxyphenyl)sulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-ethoxyphenyl)sulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-ethoxyphenyl)sulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(4-ethoxyphenyl)sulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(4-ethoxyphenyl)sulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-p-phenetylsulfonyl-isonipecotamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(C=CC=C4S3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(C=CC=C4S3)C

InChI

InChI=1S/C22H25N3O4S2/c1-3-29-17-7-9-18(10-8-17)31(27,28)25-13-11-16(12-14-25)21(26)24-22-23-20-15(2)5-4-6-19(20)30-22/h4-10,16H,3,11-14H2,1-2H3,(H,23,24,26)