4-[4-[1-(phenylmethyl)indol-3-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[1-(phenylmethyl)indol-3-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-[1-(phenylmethyl)-3-indolyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(1-benzylindole-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H24N4O3S/c28-18-21-10-12-23(13-11-21)35(33,34)31-16-14-29(15-17-31)27(32)25-20-30(19-22-6-2-1-3-7-22)26-9-5-4-8-24(25)26/h1-13,20H,14-17,19H2