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

Systemtic Name: 3-phenylpropyl 4-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[4-(4-benzhydrylpiperazin-1-yl)sulfonylanilino]-4-oxo-butanoate CAS Name: 4-[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[4-(4-benzhydrylpiperazin-1-yl)sulfonylanilino]-4-oxobutanoate Traditional Name: 4-[4-(4-benzhydrylpiperazino)sulfonylanilino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C36H39N3O5S MolecularWeight: 625.77696

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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)OCCCC5=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)OCCCC5=CC=CC=C5

InChI

InChI=1S/C36H39N3O5S/c40-34(22-23-35(41)44-28-10-13-29-11-4-1-5-12-29)37-32-18-20-33(21-19-32)45(42,43)39-26-24-38(25-27-39)36(30-14-6-2-7-15-30)31-16-8-3-9-17-31/h1-9,11-12,14-21,36H,10,13,22-28H2,(H,37,40)