N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C18H21ClN2O5S2 MolecularWeight: 444.95274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H21ClN2O5S2/c1-13-11-17(18(26-2)12-16(13)19)20-27(22,23)14-5-7-15(8-6-14)28(24,25)21-9-3-4-10-21/h5-8,11-12,20H,3-4,9-10H2,1-2H3