[4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-(4-methoxy-3-pyrrolidinosulfonyl-phenyl)methanone Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4S/c1-18-7-6-8-21(19(18)2)25-13-15-26(16-14-25)24(28)20-9-10-22(31-3)23(17-20)32(29,30)27-11-4-5-12-27/h6-10,17H,4-5,11-16H2,1-3H3