[4-[(5-bromanyl-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone; methanesulfonic acid

Systemtic Name: [4-[(5-bromanyl-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone; methanesulfonic acid Openeye Name: [4-[(5-bromo-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-[4-(4-pyridyl)phenyl]methanone; methanesulfonic acid CAS Name: [4-[(5-bromo-1H-indol-2-yl)sulfonyl]-1-piperazinyl]-(4-pyridin-4-ylphenyl)methanone; methanesulfonic acid IUPAC Name: [4-[(5-bromo-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone; methanesulfonic acid Traditional Name: [4-[(5-bromo-1H-indol-2-yl)sulfonyl]piperazino]-[4-(4-pyridyl)phenyl]methanone; mesylic acid Formula: C25H25BrN4O6S2 MolecularWeight: 621.5232

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(N4)C=CC(=C5)Br

Isomeric SMILES

CS(=O)(=O)O.C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(N4)C=CC(=C5)Br

InChI

InChI=1S/C24H21BrN4O3S.CH4O3S/c25-21-5-6-22-20(15-21)16-23(27-22)33(31,32)29-13-11-28(12-14-29)24(30)19-3-1-17(2-4-19)18-7-9-26-10-8-18;1-5(2,3)4/h1-10,15-16,27H,11-14H2;1H3,(H,2,3,4)