(3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-(2-thienylsulfonyl)nipecotamide Formula: C18H19N3O3S3 MolecularWeight: 421.55676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H19N3O3S3/c1-12-19-15-7-6-14(10-16(15)26-12)20-18(22)13-4-2-8-21(11-13)27(23,24)17-5-3-9-25-17/h3,5-7,9-10,13H,2,4,8,11H2,1H3,(H,20,22)/t13-/m0/s1