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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenethyloxy-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenethyloxy-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-phenethyloxybenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenethyloxybenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenethyloxy-benzamide Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3OCCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3OCCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O4S/c30-27(25-12-6-7-13-26(25)33-21-18-22-10-4-3-5-11-22)28-23-14-16-24(17-15-23)34(31,32)29-19-8-1-2-9-20-29/h3-7,10-17H,1-2,8-9,18-21H2,(H,28,30)