4-bromanyl-N-cyclopropyl-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 4-bromanyl-N-cyclopropyl-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-bromo-N-cyclopropyl-3-[4-(2-thienylmethyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: 4-bromo-N-cyclopropyl-3-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 4-bromo-N-cyclopropyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 4-bromo-N-cyclopropyl-3-[4-(2-thenyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C19H22BrN3O3S2 MolecularWeight: 484.43028

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C19H22BrN3O3S2/c20-18-6-5-16(28(25,26)21-14-3-4-14)12-17(18)19(24)23-9-7-22(8-10-23)13-15-2-1-11-27-15/h1-2,5-6,11-12,14,21H,3-4,7-10,13H2