4-(4-methylphenyl)sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[[4-(1-piperidylmethyl)phenyl]methyl]-4-(p-tolylsulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-[[4-(1-piperidinylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[4-(piperidinomethyl)benzyl]-4-tosyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C29H33N3O4S MolecularWeight: 519.65502

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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)CN5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)NCC4=CC=C(C=C4)CN5CCCCC5

InChI

InChI=1S/C29H33N3O4S/c1-22-9-15-25(16-10-22)37(34,35)32-21-28(36-27-8-4-3-7-26(27)32)29(33)30-19-23-11-13-24(14-12-23)20-31-17-5-2-6-18-31/h3-4,7-16,28H,2,5-6,17-21H2,1H3,(H,30,33)