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

Systemtic Name: (2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone Openeye Name: (2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-1-yl]methanone CAS Name: [2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-[4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone Traditional Name: (2-chloro-5-pyrrolidinosulfonyl-phenyl)-[4-[(3-methylisoxazol-5-yl)methyl]piperazino]methanone Formula: C20H25ClN4O4S MolecularWeight: 452.9549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

CC1=NOC(=C1)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C20H25ClN4O4S/c1-15-12-16(29-22-15)14-23-8-10-24(11-9-23)20(26)18-13-17(4-5-19(18)21)30(27,28)25-6-2-3-7-25/h4-5,12-13H,2-3,6-11,14H2,1H3