5-bromanyl-1-(4-propan-2-ylphenyl)sulfonyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole

Systemtic Name: 5-bromanyl-1-(4-propan-2-ylphenyl)sulfonyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole Openeye Name: 5-bromo-1-(4-isopropylphenyl)sulfonyl-3-[[4-(2-pyridyl)piperazin-1-yl]methyl]indole CAS Name: 5-bromo-1-(4-propan-2-ylphenyl)sulfonyl-3-[[4-(2-pyridinyl)-1-piperazinyl]methyl]indole IUPAC Name: 5-bromo-1-(4-propan-2-ylphenyl)sulfonyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole Traditional Name: 5-bromo-1-p-cumenylsulfonyl-3-[[4-(2-pyridyl)piperazino]methyl]indole Formula: C27H29BrN4O2S MolecularWeight: 553.51376

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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)Br)CN4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Br)CN4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C27H29BrN4O2S/c1-20(2)21-6-9-24(10-7-21)35(33,34)32-19-22(25-17-23(28)8-11-26(25)32)18-30-13-15-31(16-14-30)27-5-3-4-12-29-27/h3-12,17,19-20H,13-16,18H2,1-2H3