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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-methyl-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1-benzylpyrazol-4-yl)methyl]-N-methylpropanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-propionamide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H34N4O3S/c1-29(20-25-19-28-30(22-25)21-24-9-5-4-6-10-24)27(32)16-13-23-11-14-26(15-12-23)35(33,34)31-17-7-2-3-8-18-31/h4-6,9-12,14-15,19,22H,2-3,7-8,13,16-18,20-21H2,1H3