[2-[ethyl(naphthalen-1-yl)amino]-2-oxidanylidene-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-[ethyl(naphthalen-1-yl)amino]-2-oxidanylidene-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-[ethyl(1-naphthyl)amino]-2-oxo-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-[ethyl(1-naphthalenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid [2-[ethyl(1-naphthyl)amino]-2-keto-ethyl] ester Formula: C31H31N3O5S MolecularWeight: 557.65994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC2=CC=CC=C21)C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCN(C1=CC=CC2=CC=CC=C21)C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C31H31N3O5S/c1-2-34(29-17-9-11-24-10-6-7-16-28(24)29)30(35)23-39-31(36)25-12-8-15-27(22-25)40(37,38)33-20-18-32(19-21-33)26-13-4-3-5-14-26/h3-17,22H,2,18-21,23H2,1H3