N-(2-chloranyl-5-nitro-phenyl)-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-methyl-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-methyl-5-pyrrolidinosulfonyl-benzamide Formula: C18H18ClN3O5S MolecularWeight: 423.87062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

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