4-(azepan-1-ylmethyl)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

Systemtic Name: 4-(azepan-1-ylmethyl)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide Openeye Name: 4-(azepan-1-ylmethyl)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide CAS Name: 4-(1-azepanylmethyl)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide IUPAC Name: 4-(azepan-1-ylmethyl)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide Traditional Name: 4-(azepan-1-ylmethyl)-N-[1-(4-mesylphenyl)ethyl]benzamide Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC=C(C=C2)CN3CCCCCC3

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC=C(C=C2)CN3CCCCCC3

InChI

InChI=1S/C23H30N2O3S/c1-18(20-11-13-22(14-12-20)29(2,27)28)24-23(26)21-9-7-19(8-10-21)17-25-15-5-3-4-6-16-25/h7-14,18H,3-6,15-17H2,1-2H3,(H,24,26)