4-(azepan-1-ylsulfonyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O3S/c1-26(18-20-17-25-28(19-20)22-9-5-4-6-10-22)24(29)21-11-13-23(14-12-21)32(30,31)27-15-7-2-3-8-16-27/h4-6,9-14,17,19H,2-3,7-8,15-16,18H2,1H3