(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

Systemtic Name: (2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone Openeye Name: (2-bromo-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(m-tolyl)piperazin-1-yl]methanone CAS Name: [2-bromo-5-(1-pyrrolidinylsulfonyl)phenyl]-[4-(3-methylphenyl)-1-piperazinyl]methanone IUPAC Name: (2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone Traditional Name: (2-bromo-5-pyrrolidinosulfonyl-phenyl)-[4-(m-tolyl)piperazino]methanone Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Br

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Br

InChI

InChI=1S/C22H26BrN3O3S/c1-17-5-4-6-18(15-17)24-11-13-25(14-12-24)22(27)20-16-19(7-8-21(20)23)30(28,29)26-9-2-3-10-26/h4-8,15-16H,2-3,9-14H2,1H3