N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-esyl-isonipecotamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O3S2/c1-2-30(27,28)25-13-11-17(12-14-25)22(26)23-18-9-7-16(8-10-18)15-21-24-19-5-3-4-6-20(19)29-21/h3-10,17H,2,11-15H2,1H3,(H,23,26)