N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide

Systemtic Name: N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide Openeye Name: N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide CAS Name: N-[4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidinecarboxamide IUPAC Name: N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide Traditional Name: N-[4-methyl-3-(4-methylpiperazino)sulfonyl-phenyl]-1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]nipecotamide Formula: C25H32N6O4S2 MolecularWeight: 544.68938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)CC3=NC(=NO3)C4=CC=CS4)S(=O)(=O)N5CCN(CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)CC3=NC(=NO3)C4=CC=CS4)S(=O)(=O)N5CCN(CC5)C

InChI

InChI=1S/C25H32N6O4S2/c1-18-7-8-20(15-22(18)37(33,34)31-12-10-29(2)11-13-31)26-25(32)19-5-3-9-30(16-19)17-23-27-24(28-35-23)21-6-4-14-36-21/h4,6-8,14-15,19H,3,5,9-13,16-17H2,1-2H3,(H,26,32)