N-[4-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]phenyl]-4-chloranyl-benzenesulfonamide

Systemtic Name: N-[4-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]phenyl]-4-chloranyl-benzenesulfonamide Openeye Name: N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-4-chloro-benzenesulfonamide CAS Name: N-[4-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-4-chlorobenzenesulfonamide IUPAC Name: N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-4-chlorobenzenesulfonamide Traditional Name: N-[4-[4-(4-tert-butylbenzoyl)piperazino]phenyl]-4-chloro-benzenesulfonamide Formula: C27H30ClN3O3S MolecularWeight: 512.0634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H30ClN3O3S/c1-27(2,3)21-6-4-20(5-7-21)26(32)31-18-16-30(17-19-31)24-12-10-23(11-13-24)29-35(33,34)25-14-8-22(28)9-15-25/h4-15,29H,16-19H2,1-3H3