N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-chloro-4-(3-ketopiperazino)phenyl]-4-pyrrolidinosulfonyl-benzamide Formula: C21H23ClN4O4S MolecularWeight: 462.94972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)N4CCNC(=O)C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)N4CCNC(=O)C4)Cl

InChI

InChI=1S/C21H23ClN4O4S/c22-18-13-16(5-8-19(18)25-12-9-23-20(27)14-25)24-21(28)15-3-6-17(7-4-15)31(29,30)26-10-1-2-11-26/h3-8,13H,1-2,9-12,14H2,(H,23,27)(H,24,28)