3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(4-imidazol-1-ylphenyl)ethyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(4-imidazol-1-ylphenyl)ethyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(4-imidazol-1-ylphenyl)ethyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[1-[4-(1-imidazolyl)phenyl]ethyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(4-imidazol-1-ylphenyl)ethyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(4-imidazol-1-ylphenyl)ethyl]propionamide Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H32N4O3S/c1-21(23-9-11-24(12-10-23)29-19-16-27-20-29)28-26(31)15-8-22-6-13-25(14-7-22)34(32,33)30-17-4-2-3-5-18-30/h6-7,9-14,16,19-21H,2-5,8,15,17-18H2,1H3,(H,28,31)