2-[4-(5-methoxy-2-methyl-1-propyl-indol-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(5-methoxy-2-methyl-1-propyl-indol-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(5-methoxy-2-methyl-1-propyl-indole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(5-methoxy-2-methyl-1-propyl-3-indolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(5-methoxy-2-methyl-1-propylindole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(5-methoxy-2-methyl-1-propyl-indole-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C2=C1C=CC(=C2)OC)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)C

Isomeric SMILES

CCCN1C(=C(C2=C1C=CC(=C2)OC)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)C

InChI

InChI=1S/C25H28N4O4S/c1-4-11-29-18(2)24(21-16-20(33-3)9-10-22(21)29)25(30)27-12-14-28(15-13-27)34(31,32)23-8-6-5-7-19(23)17-26/h5-10,16H,4,11-15H2,1-3H3