4-(4-methylphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-(p-tolylsulfonyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-[[4-(1-pyrrolidinyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-(4-pyrrolidinobenzyl)-4-tosyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)NCC4=CC=C(C=C4)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)NCC4=CC=C(C=C4)N5CCCC5

InChI

InChI=1S/C27H29N3O4S/c1-20-8-14-23(15-9-20)35(32,33)30-19-26(34-25-7-3-2-6-24(25)30)27(31)28-18-21-10-12-22(13-11-21)29-16-4-5-17-29/h2-3,6-15,26H,4-5,16-19H2,1H3,(H,28,31)