N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]naphthalene-1-sulfonamide

Systemtic Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]naphthalene-1-sulfonamide Openeye Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]naphthalene-1-sulfonamide CAS Name: N-[4-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]phenyl]-1-naphthalenesulfonamide IUPAC Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]naphthalene-1-sulfonamide Traditional Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazino]phenyl]naphthalene-1-sulfonamide Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H31N3O3S/c1-26(2,3)19-25(30)29-17-15-28(16-18-29)22-13-11-21(12-14-22)27-33(31,32)24-10-6-8-20-7-4-5-9-23(20)24/h4-14,27H,15-19H2,1-3H3