N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(1-phenylpyrazol-4-yl)propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(1-phenylpyrazol-4-yl)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(1-phenylpyrazol-4-yl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(1-phenyl-4-pyrazolyl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(1-phenylpyrazol-4-yl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(1-phenylpyrazol-4-yl)propionamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H30N4O3S/c1-20-11-13-22(17-24(20)33(31,32)28-15-7-2-3-8-16-28)27-25(30)14-12-21-18-26-29(19-21)23-9-5-4-6-10-23/h4-6,9-11,13,17-19H,2-3,7-8,12,14-16H2,1H3,(H,27,30)