1-[2-(4-chloranyl-2,3-dimethyl-phenoxy)-4-pyrrolidin-1-ylsulfonyl-phenyl]-N-methyl-methanamine

Systemtic Name: 1-[2-(4-chloranyl-2,3-dimethyl-phenoxy)-4-pyrrolidin-1-ylsulfonyl-phenyl]-N-methyl-methanamine Openeye Name: 1-[2-(4-chloro-2,3-dimethyl-phenoxy)-4-pyrrolidin-1-ylsulfonyl-phenyl]-N-methyl-methanamine CAS Name: 1-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-pyrrolidinylsulfonyl)phenyl]-N-methylmethanamine IUPAC Name: 1-[2-(4-chloro-2,3-dimethylphenoxy)-4-pyrrolidin-1-ylsulfonylphenyl]-N-methylmethanamine Traditional Name: [2-(4-chloro-2,3-dimethyl-phenoxy)-4-pyrrolidinosulfonyl-benzyl]-methyl-amine Formula: C20H25ClN2O3S MolecularWeight: 408.9421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)Cl)OC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)CNC

Isomeric SMILES

CC1=C(C=CC(=C1C)Cl)OC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)CNC

InChI

InChI=1S/C20H25ClN2O3S/c1-14-15(2)19(9-8-18(14)21)26-20-12-17(7-6-16(20)13-22-3)27(24,25)23-10-4-5-11-23/h6-9,12,22H,4-5,10-11,13H2,1-3H3