N-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenethyloxy-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenethyloxy-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenethyloxy-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-phenethyloxybenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenethyloxybenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-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=C3)OCCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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