methyl 4-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl 4-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl 4-(2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: 4-[[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-methyl-5-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: 4-(2-methyl-5-pyrrolidinosulfonyl-benzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CC(OC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CC(OC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C22H24N2O6S/c1-15-9-10-16(31(27,28)23-11-5-6-12-23)13-17(15)21(25)24-14-20(22(26)29-2)30-19-8-4-3-7-18(19)24/h3-4,7-10,13,20H,5-6,11-12,14H2,1-2H3