4-chloranyl-N,N-dimethyl-3-[(2R,5S)-5-methyl-2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-N,N-dimethyl-3-[(2R,5S)-5-methyl-2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-chloro-N,N-dimethyl-3-[(2R,5S)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide CAS Name: 4-chloro-N,N-dimethyl-3-[[(2R,5S)-5-methyl-2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]benzenesulfonamide IUPAC Name: 4-chloro-N,N-dimethyl-3-[(2R,5S)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide Traditional Name: 4-chloro-N,N-dimethyl-3-[(2R,5S)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide Formula: C21H28ClN3O3S MolecularWeight: 437.98332

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)Cl)C3=CC=CN3C

Isomeric SMILES

C[C@H]1CC[C@@H](N(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)Cl)C3=CC=CN3C

InChI

InChI=1S/C21H28ClN3O3S/c1-15-7-10-20(19-6-5-12-24(19)4)25(13-11-15)21(26)17-14-16(8-9-18(17)22)29(27,28)23(2)3/h5-6,8-9,12,14-15,20H,7,10-11,13H2,1-4H3/t15-,20+/m0/s1