N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[3-chloro-4-(3-ketopiperazino)phenyl]-1-[(5-methyl-2-thienyl)sulfonyl]nipecotamide Formula: C21H25ClN4O4S2 MolecularWeight: 497.0306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=C(C=C3)N4CCNC(=O)C4)Cl

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=C(C=C3)N4CCNC(=O)C4)Cl

InChI

InChI=1S/C21H25ClN4O4S2/c1-14-4-7-20(31-14)32(29,30)26-9-2-3-15(12-26)21(28)24-16-5-6-18(17(22)11-16)25-10-8-23-19(27)13-25/h4-7,11,15H,2-3,8-10,12-13H2,1H3,(H,23,27)(H,24,28)