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

Systemtic Name: N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide Openeye Name: N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide CAS Name: N-[4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide Traditional Name: N-[4-methyl-3-(4-methylpiperazino)sulfonyl-phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]isonipecotamide Formula: C27H34N6O4S MolecularWeight: 538.66166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC3=NC(=NO3)C4=CC=CC=C4)S(=O)(=O)N5CCN(CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC3=NC(=NO3)C4=CC=CC=C4)S(=O)(=O)N5CCN(CC5)C

InChI

InChI=1S/C27H34N6O4S/c1-20-8-9-23(18-24(20)38(35,36)33-16-14-31(2)15-17-33)28-27(34)22-10-12-32(13-11-22)19-25-29-26(30-37-25)21-6-4-3-5-7-21/h3-9,18,22H,10-17,19H2,1-2H3,(H,28,34)