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

Systemtic Name: N-[4-[4-[2-(4-methoxyphenyl)ethanoyl]piperazin-1-yl]phenyl]octane-1-sulfonamide Openeye Name: N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]octane-1-sulfonamide CAS Name: N-[4-[4-[2-(4-methoxyphenyl)-1-oxoethyl]-1-piperazinyl]phenyl]-1-octanesulfonamide IUPAC Name: N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]octane-1-sulfonamide Traditional Name: N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazino]phenyl]octane-1-sulfonamide Formula: C27H39N3O4S MolecularWeight: 501.68126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39N3O4S/c1-3-4-5-6-7-8-21-35(32,33)28-24-11-13-25(14-12-24)29-17-19-30(20-18-29)27(31)22-23-9-15-26(34-2)16-10-23/h9-16,28H,3-8,17-22H2,1-2H3