N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-[2-(3-methoxypropylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[2-[(3-methoxypropylamino)-oxomethyl]phenyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-[2-(3-methoxypropylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-[2-(3-methoxypropylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C27H29N3O6S MolecularWeight: 523.60066

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC=CC=C1NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COCCCNC(=O)C1=CC=CC=C1NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O6S/c1-35-17-9-16-28-26(31)21-12-5-6-13-22(21)29-27(32)25-18-30(23-14-7-8-15-24(23)36-25)37(33,34)19-20-10-3-2-4-11-20/h2-8,10-15,25H,9,16-19H2,1H3,(H,28,31)(H,29,32)