N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-(p-tolylsulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)-4-tosyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C27H29N3O7S2 MolecularWeight: 571.66506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)N5CCCC5)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)N5CCCC5)OC

InChI

InChI=1S/C27H29N3O7S2/c1-19-9-11-20(12-10-19)39(34,35)30-18-26(37-25-8-4-3-7-23(25)30)27(31)28-22-17-21(13-14-24(22)36-2)38(32,33)29-15-5-6-16-29/h3-4,7-14,17,26H,5-6,15-16,18H2,1-2H3,(H,28,31)