(6-bromanyl-1H-indol-2-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (6-bromanyl-1H-indol-2-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (6-bromo-1H-indol-2-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (6-bromo-1H-indol-2-yl)-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (6-bromo-1H-indol-2-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (6-bromo-1H-indol-2-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazino]methanone Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=C(C=C4)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=C(C=C4)Br)C

InChI

InChI=1S/C21H22BrN3O3S/c1-14-3-6-18(11-15(14)2)29(27,28)25-9-7-24(8-10-25)21(26)20-12-16-4-5-17(22)13-19(16)23-20/h3-6,11-13,23H,7-10H2,1-2H3