N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-[2-[(4-ethylphenyl)methyl]-3-pyrazolyl]-4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-[2-(4-ethylbenzyl)pyrazol-3-yl]-4-[(3S)-3-methylpiperidino]sulfonyl-benzamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC(C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC[C@@H](C4)C

InChI

InChI=1S/C25H30N4O3S/c1-3-20-6-8-21(9-7-20)18-29-24(14-15-26-29)27-25(30)22-10-12-23(13-11-22)33(31,32)28-16-4-5-19(2)17-28/h6-15,19H,3-5,16-18H2,1-2H3,(H,27,30)/t19-/m0/s1