2,6-dimethyl-4-(3-nitrophenyl)-5-pyrrolidin-1-ylsulfonyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-pyrrolidin-1-ylsulfonyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-pyrrolidin-1-ylsulfonyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-(1-pyrrolidinylsulfonyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-pyrrolidin-1-ylsulfonyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-pyrrolidinosulfonyl-1,4-dihydropyridine-3-carboxylic acid Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)S(=O)(=O)N2CCCC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)S(=O)(=O)N2CCCC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H21N3O6S/c1-11-15(18(22)23)16(13-6-5-7-14(10-13)21(24)25)17(12(2)19-11)28(26,27)20-8-3-4-9-20/h5-7,10,16,19H,3-4,8-9H2,1-2H3,(H,22,23)