2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(N-mesyl-2-methyl-5-nitro-anilino)-N-(4-pyrrolidinobenzyl)acetamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C

InChI

InChI=1S/C21H26N4O5S/c1-16-5-8-19(25(27)28)13-20(16)24(31(2,29)30)15-21(26)22-14-17-6-9-18(10-7-17)23-11-3-4-12-23/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,22,26)