N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-chloranyl-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-chloranyl-4-methyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-chloro-4-methyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-chloro-4-methylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-chloro-4-methylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-chloro-4-methyl-benzenesulfonamide Formula: C20H28ClN3O2S MolecularWeight: 409.97322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CC=CN2C)N3CCCCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CC=CN2C)N3CCCCCC3)Cl

InChI

InChI=1S/C20H28ClN3O2S/c1-16-9-10-17(14-18(16)21)27(25,26)22-15-20(19-8-7-11-23(19)2)24-12-5-3-4-6-13-24/h7-11,14,20,22H,3-6,12-13,15H2,1-2H3