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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-methyl-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-methyl-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-benzamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

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