4-chloranyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-nitro-benzenesulfonamide Formula: C18H20ClN3O7S2 MolecularWeight: 489.9503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H20ClN3O7S2/c1-2-29-17-8-5-13(11-18(17)31(27,28)21-9-3-4-10-21)20-30(25,26)14-6-7-15(19)16(12-14)22(23)24/h5-8,11-12,20H,2-4,9-10H2,1H3