(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Openeye Name: (2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(4-pyridylmethyl)piperazin-1-yl]methanone CAS Name: [2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Traditional Name: (2-chloro-5-pyrrolidinosulfonyl-phenyl)-[4-(4-pyridylmethyl)piperazino]methanone Formula: C21H25ClN4O3S MolecularWeight: 448.9662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O3S/c22-20-4-3-18(30(28,29)26-9-1-2-10-26)15-19(20)21(27)25-13-11-24(12-14-25)16-17-5-7-23-8-6-17/h3-8,15H,1-2,9-14,16H2