N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenethyl-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenethyl-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenethyl-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-phenethylbenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenethylbenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenethyl-benzamide Formula: C27H30N2O3S MolecularWeight: 462.6037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3CCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3CCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3S/c30-27(26-13-7-6-12-23(26)15-14-22-10-4-3-5-11-22)28-24-16-18-25(19-17-24)33(31,32)29-20-8-1-2-9-21-29/h3-7,10-13,16-19H,1-2,8-9,14-15,20-21H2,(H,28,30)