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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-3-9-16(2)22-21(24)20-14-23(18-12-7-8-13-19(18)27-20)28(25,26)15-17-10-5-4-6-11-17/h4-8,10-13,16,20H,3,9,14-15H2,1-2H3,(H,22,24)