N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C24H23N3O3S3 MolecularWeight: 497.65272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C24H23N3O3S3/c1-16-6-11-20-21(14-16)32-24(26-20)17-7-9-19(10-8-17)25-23(28)18-4-2-12-27(15-18)33(29,30)22-5-3-13-31-22/h3,5-11,13-14,18H,2,4,12,15H2,1H3,(H,25,28)