3-[[4-[2-(4-methylnaphthalen-1-yl)-1-piperazin-1-yl-ethoxy]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[4-[2-(4-methylnaphthalen-1-yl)-1-piperazin-1-yl-ethoxy]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-[2-(4-methyl-1-naphthyl)-1-piperazin-1-yl-ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[4-[2-(4-methyl-1-naphthalenyl)-1-(1-piperazinyl)ethoxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[4-[2-(4-methylnaphthalen-1-yl)-1-piperazin-1-ylethoxy]phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[4-[2-(4-methyl-1-naphthyl)-1-piperazino-ethoxy]phenyl]sulfonylamino]butyric acid Formula: C27H31N3O6S MolecularWeight: 525.61654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C2=CC=CC=C12)CC(N3CCNCC3)OC4=CC=C(C=C4)S(=O)(=O)NC(CC(=O)O)C=O

Isomeric SMILES

CC1=CC=C(C2=CC=CC=C12)CC(N3CCNCC3)OC4=CC=C(C=C4)S(=O)(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C27H31N3O6S/c1-19-6-7-20(25-5-3-2-4-24(19)25)16-26(30-14-12-28-13-15-30)36-22-8-10-23(11-9-22)37(34,35)29-21(18-31)17-27(32)33/h2-11,18,21,26,28-29H,12-17H2,1H3,(H,32,33)