N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-nitro-4-pyrrolidino-benzamide Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H28N4O6S/c1-2-33-21-10-8-18(16-22(21)34(31,32)26-13-5-6-14-26)24-23(28)17-7-9-19(20(15-17)27(29)30)25-11-3-4-12-25/h7-10,15-16H,2-6,11-14H2,1H3,(H,24,28)