5-methoxy-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1-(4-propan-2-ylphenyl)sulfonyl-indole

Systemtic Name: 5-methoxy-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1-(4-propan-2-ylphenyl)sulfonyl-indole Openeye Name: 3-[(4-benzylpiperazin-1-yl)methyl]-1-(4-isopropylphenyl)sulfonyl-5-methoxy-indole CAS Name: 5-methoxy-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1-(4-propan-2-ylphenyl)sulfonylindole IUPAC Name: 3-[(4-benzylpiperazin-1-yl)methyl]-5-methoxy-1-(4-propan-2-ylphenyl)sulfonylindole Traditional Name: 3-[(4-benzylpiperazino)methyl]-5-methoxy-1-p-cumenylsulfonyl-indole Formula: C30H35N3O3S MolecularWeight: 517.6822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OC)CN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OC)CN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H35N3O3S/c1-23(2)25-9-12-28(13-10-25)37(34,35)33-22-26(29-19-27(36-3)11-14-30(29)33)21-32-17-15-31(16-18-32)20-24-7-5-4-6-8-24/h4-14,19,22-23H,15-18,20-21H2,1-3H3