N-(2-azanylethyl)-1-(3-methylphenyl)carbonyl-3-methylsulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3-methylphenyl)carbonyl-3-methylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-methylbenzoyl)-3-methylsulfonyl-hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-methylphenyl)-oxomethyl]-3-methylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-methylbenzoyl)-3-methylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-mesyl-3-m-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C16H24N4O4S MolecularWeight: 368.45116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)C

InChI

InChI=1S/C16H24N4O4S/c1-12-5-3-6-13(11-12)16(22)19-9-4-10-20(25(2,23)24)15(19)14(21)18-8-7-17/h3,5-6,11,15H,4,7-10,17H2,1-2H3,(H,18,21)