N-[4-[4-[2-(3-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]octane-1-sulfonamide

Systemtic Name: N-[4-[4-[2-(3-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]octane-1-sulfonamide Openeye Name: N-[4-[4-[2-(m-tolyl)acetyl]piperazin-1-yl]phenyl]octane-1-sulfonamide CAS Name: N-[4-[4-[2-(3-methylphenyl)-1-oxoethyl]-1-piperazinyl]phenyl]-1-octanesulfonamide IUPAC Name: N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]octane-1-sulfonamide Traditional Name: N-[4-[4-[2-(m-tolyl)acetyl]piperazino]phenyl]octane-1-sulfonamide Formula: C27H39N3O3S MolecularWeight: 485.68186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3=CC=CC(=C3)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3=CC=CC(=C3)C

InChI

InChI=1S/C27H39N3O3S/c1-3-4-5-6-7-8-20-34(32,33)28-25-12-14-26(15-13-25)29-16-18-30(19-17-29)27(31)22-24-11-9-10-23(2)21-24/h9-15,21,28H,3-8,16-20,22H2,1-2H3