N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-ethoxy-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-ethoxy-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-ethoxy-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-2-ethoxybenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-ethoxybenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-ethoxy-benzenesulfonamide Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1S(=O)(=O)NCC(C2=CC=CN2C)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1S(=O)(=O)NCC(C2=CC=CN2C)N3CCCCCC3

InChI

InChI=1S/C21H31N3O3S/c1-3-27-20-12-6-7-13-21(20)28(25,26)22-17-19(18-11-10-14-23(18)2)24-15-8-4-5-9-16-24/h6-7,10-14,19,22H,3-5,8-9,15-17H2,1-2H3