3-phenylpropyl 5-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[4-(4-benzhydrylpiperazin-1-yl)sulfonylanilino]-5-oxo-pentanoate CAS Name: 5-[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[4-(4-benzhydrylpiperazin-1-yl)sulfonylanilino]-5-oxopentanoate Traditional Name: 5-[4-(4-benzhydrylpiperazino)sulfonylanilino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C37H41N3O5S MolecularWeight: 639.80354

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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)CCCC(=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)CCCC(=O)OCCCC5=CC=CC=C5

InChI

InChI=1S/C37H41N3O5S/c41-35(19-10-20-36(42)45-29-11-14-30-12-4-1-5-13-30)38-33-21-23-34(24-22-33)46(43,44)40-27-25-39(26-28-40)37(31-15-6-2-7-16-31)32-17-8-3-9-18-32/h1-9,12-13,15-18,21-24,37H,10-11,14,19-20,25-29H2,(H,38,41)