N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromanyl-2-phenethyloxy-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromanyl-2-phenethyloxy-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromo-2-phenethyloxy-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-bromo-2-phenethyloxybenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromo-2-phenethyloxybenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromo-2-phenethyloxy-benzamide Formula: C27H29BrN2O4S MolecularWeight: 557.49916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

InChI=1S/C27H29BrN2O4S/c28-22-10-15-26(34-19-16-21-8-4-3-5-9-21)25(20-22)27(31)29-23-11-13-24(14-12-23)35(32,33)30-17-6-1-2-7-18-30/h3-5,8-15,20H,1-2,6-7,16-19H2,(H,29,31)