N-(1,3-benzothiazol-2-ylmethyl)-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-bromophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-bromophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-1-brosyl-nipecotamide Formula: C20H20BrN3O3S2 MolecularWeight: 494.4251

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20BrN3O3S2/c21-15-7-9-16(10-8-15)29(26,27)24-11-3-4-14(13-24)20(25)22-12-19-23-17-5-1-2-6-18(17)28-19/h1-2,5-10,14H,3-4,11-13H2,(H,22,25)