(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(3,3-dimethylbutyl)piperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(3,3-dimethylbutyl)piperazin-1-yl]methanone Openeye Name: (2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(3,3-dimethylbutyl)piperazin-1-yl]methanone CAS Name: [2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-[4-(3,3-dimethylbutyl)-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-[4-(3,3-dimethylbutyl)piperazin-1-yl]methanone Traditional Name: (2-chloro-5-pyrrolidinosulfonyl-phenyl)-[4-(3,3-dimethylbutyl)piperazino]methanone Formula: C21H32ClN3O3S MolecularWeight: 442.01508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCN1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CC(C)(C)CCN1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C21H32ClN3O3S/c1-21(2,3)8-11-23-12-14-24(15-13-23)20(26)18-16-17(6-7-19(18)22)29(27,28)25-9-4-5-10-25/h6-7,16H,4-5,8-15H2,1-3H3