1-[4-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-(2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoyl)piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(2-chloro-5-pyrrolidinosulfonyl-benzoyl)piperazino]-3-methyl-butan-1-one Formula: C20H28ClN3O4S MolecularWeight: 441.97202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C20H28ClN3O4S/c1-15(2)13-19(25)22-9-11-23(12-10-22)20(26)17-14-16(5-6-18(17)21)29(27,28)24-7-3-4-8-24/h5-6,14-15H,3-4,7-13H2,1-2H3