N-tert-butyl-2-chloranyl-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-tert-butyl-2-chloranyl-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 5-(4-benzylpiperazine-1-carbonyl)-N-tert-butyl-2-chloro-benzenesulfonamide CAS Name: N-tert-butyl-2-chloro-5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 5-(4-benzylpiperazine-1-carbonyl)-N-tert-butyl-2-chlorobenzenesulfonamide Traditional Name: 5-(4-benzylpiperazine-1-carbonyl)-N-tert-butyl-2-chloro-benzenesulfonamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H28ClN3O3S/c1-22(2,3)24-30(28,29)20-15-18(9-10-19(20)23)21(27)26-13-11-25(12-14-26)16-17-7-5-4-6-8-17/h4-10,15,24H,11-14,16H2,1-3H3