3-(azepan-1-ylsulfonyl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-[(4-ethylphenyl)methyl]-3-pyrazolyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(4-ethylbenzyl)pyrazol-3-yl]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(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H30N4O3S/c1-2-20-10-12-21(13-11-20)19-29-24(14-15-26-29)27-25(30)22-8-7-9-23(18-22)33(31,32)28-16-5-3-4-6-17-28/h7-15,18H,2-6,16-17,19H2,1H3,(H,27,30)