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

Systemtic Name: 5-bromanyl-1-(4-methoxyphenyl)sulfonyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole Openeye Name: 5-bromo-1-(4-methoxyphenyl)sulfonyl-3-[[4-(2-pyridyl)piperazin-1-yl]methyl]indole CAS Name: 5-bromo-1-(4-methoxyphenyl)sulfonyl-3-[[4-(2-pyridinyl)-1-piperazinyl]methyl]indole IUPAC Name: 5-bromo-1-(4-methoxyphenyl)sulfonyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole Traditional Name: 5-bromo-1-(4-methoxyphenyl)sulfonyl-3-[[4-(2-pyridyl)piperazino]methyl]indole Formula: C25H25BrN4O3S MolecularWeight: 541.46

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Br)CN4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Br)CN4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C25H25BrN4O3S/c1-33-21-6-8-22(9-7-21)34(31,32)30-18-19(23-16-20(26)5-10-24(23)30)17-28-12-14-29(15-13-28)25-4-2-3-11-27-25/h2-11,16,18H,12-15,17H2,1H3