N-(5-chloranyl-2-pyrrolidin-1-yl-phenyl)-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(5-chloranyl-2-pyrrolidin-1-yl-phenyl)-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-(5-chloro-2-pyrrolidin-1-yl-phenyl)-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[5-chloro-2-(1-pyrrolidinyl)phenyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-(5-chloro-2-pyrrolidino-phenyl)-4-methyl-3-nitro-benzenesulfonamide Formula: C17H18ClN3O4S MolecularWeight: 395.86052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN3O4S/c1-12-4-6-14(11-17(12)21(22)23)26(24,25)19-15-10-13(18)5-7-16(15)20-8-2-3-9-20/h4-7,10-11,19H,2-3,8-9H2,1H3