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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26BrN3O3S/c23-21-9-8-19(30(28,29)26-10-4-5-11-26)16-20(21)22(27)25-14-12-24(13-15-25)17-18-6-2-1-3-7-18/h1-3,6-9,16H,4-5,10-15,17H2