4-chloranyl-N-(2-methyl-3-nitro-phenyl)-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-(2-methyl-3-nitro-phenyl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-(2-methyl-3-nitro-phenyl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-N-(2-methyl-3-nitrophenyl)-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-(2-methyl-3-nitrophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-(2-methyl-3-nitro-phenyl)-3-pyrrolidinosulfonyl-benzamide Formula: C18H18ClN3O5S MolecularWeight: 423.87062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O5S/c1-12-15(5-4-6-16(12)22(24)25)20-18(23)13-7-8-14(19)17(11-13)28(26,27)21-9-2-3-10-21/h4-8,11H,2-3,9-10H2,1H3,(H,20,23)