N-(3-methylbutyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-(3-methylbutyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-isopentyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-(3-methylbutyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-(3-methylbutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-isoamyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCNC(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-16(2)12-13-22-21(24)20-14-23(18-10-6-7-11-19(18)27-20)28(25,26)15-17-8-4-3-5-9-17/h3-11,16,20H,12-15H2,1-2H3,(H,22,24)