N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(1-phenylpyrazol-4-yl)propanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(1-phenylpyrazol-4-yl)propanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(1-phenylpyrazol-4-yl)propanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(1-phenyl-4-pyrazolyl)propanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(1-phenylpyrazol-4-yl)propanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(1-phenylpyrazol-4-yl)propionamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O4S/c1-33-24-13-12-22(34(31,32)28-15-7-2-3-8-16-28)17-23(24)27-25(30)14-11-20-18-26-29(19-20)21-9-5-4-6-10-21/h4-6,9-10,12-13,17-19H,2-3,7-8,11,14-16H2,1H3,(H,27,30)