phenethyl 4-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[4-(4-benzhydrylpiperazin-1-yl)sulfonylanilino]-4-oxo-butanoate CAS Name: 4-[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[4-(4-benzhydrylpiperazin-1-yl)sulfonylanilino]-4-oxobutanoate Traditional Name: 4-[4-(4-benzhydrylpiperazino)sulfonylanilino]-4-keto-butyric acid phenethyl ester Formula: C35H37N3O5S MolecularWeight: 611.75038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)CCC(=O)OCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)CCC(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C35H37N3O5S/c39-33(20-21-34(40)43-27-22-28-10-4-1-5-11-28)36-31-16-18-32(19-17-31)44(41,42)38-25-23-37(24-26-38)35(29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-19,35H,20-27H2,(H,36,39)