N-[4-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]phenyl]naphthalene-2-sulfonamide

Systemtic Name: N-[4-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]phenyl]naphthalene-2-sulfonamide Openeye Name: N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]naphthalene-2-sulfonamide CAS Name: N-[4-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-naphthalenesulfonamide IUPAC Name: N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]naphthalene-2-sulfonamide Traditional Name: N-[4-[4-(4-tert-butylbenzoyl)piperazino]phenyl]naphthalene-2-sulfonamide Formula: C31H33N3O3S MolecularWeight: 527.67702

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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=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H33N3O3S/c1-31(2,3)26-11-8-24(9-12-26)30(35)34-20-18-33(19-21-34)28-15-13-27(14-16-28)32-38(36,37)29-17-10-23-6-4-5-7-25(23)22-29/h4-17,22,32H,18-21H2,1-3H3