(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (4-chloro-3-pyrrolidinosulfonyl-phenyl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C21H23ClN4O5S MolecularWeight: 478.94912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H23ClN4O5S/c22-19-8-3-16(15-20(19)32(30,31)25-9-1-2-10-25)21(27)24-13-11-23(12-14-24)17-4-6-18(7-5-17)26(28)29/h3-8,15H,1-2,9-14H2