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

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-mesyl-isonipecotamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c1-29(26,27)24-12-10-16(11-13-24)21(25)22-17-8-6-15(7-9-17)14-20-23-18-4-2-3-5-19(18)28-20/h2-9,16H,10-14H2,1H3,(H,22,25)