3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1-methylimidazol-2-yl)-phenyl-methyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1-methylimidazol-2-yl)-phenyl-methyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1-methylimidazol-2-yl)-phenyl-methyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[(1-methyl-2-imidazolyl)-phenylmethyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1-methylimidazol-2-yl)-phenyl-methyl]propionamide Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H32N4O3S/c1-29-20-17-27-26(29)25(22-9-5-4-6-10-22)28-24(31)16-13-21-11-14-23(15-12-21)34(32,33)30-18-7-2-3-8-19-30/h4-6,9-12,14-15,17,20,25H,2-3,7-8,13,16,18-19H2,1H3,(H,28,31)