4-bromanyl-N-(2-methoxyethyl)-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 4-bromanyl-N-(2-methoxyethyl)-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-4-bromo-N-(2-methoxyethyl)benzenesulfonamide CAS Name: 4-bromo-N-(2-methoxyethyl)-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-4-bromo-N-(2-methoxyethyl)benzenesulfonamide Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-4-bromo-N-(2-methoxyethyl)benzenesulfonamide Formula: C21H26BrN3O4S MolecularWeight: 496.41784

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Descriptors Computed from Structure

Canonical SMILES:

COCCNS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COCCNS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26BrN3O4S/c1-29-14-9-23-30(27,28)18-7-8-20(22)19(15-18)21(26)25-12-10-24(11-13-25)16-17-5-3-2-4-6-17/h2-8,15,23H,9-14,16H2,1H3