N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H31N5O3S/c1-28(18-21-17-26-30(19-21)23-9-5-4-6-10-23)20-25(31)27-22-11-13-24(14-12-22)34(32,33)29-15-7-2-3-8-16-29/h4-6,9-14,17,19H,2-3,7-8,15-16,18,20H2,1H3,(H,27,31)