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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(3-bromophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(3-bromophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(3-bromophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(3-bromophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(3-bromophenyl)sulfonyl-piperazine-1-carboxamide Formula: C19H19BrN4O3S2 MolecularWeight: 495.41316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCN1C(=O)NCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C19H19BrN4O3S2/c20-14-4-3-5-15(12-14)29(26,27)24-10-8-23(9-11-24)19(25)21-13-18-22-16-6-1-2-7-17(16)28-18/h1-7,12H,8-11,13H2,(H,21,25)