N2-(2-azanylethyl)-N1-ethyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-N1-ethyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-3-benzylsulfonyl-N1-ethyl-hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-ethyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-3-benzylsulfonyl-1-N-ethyl-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-3-benzylsulfonyl-N-ethyl-hexahydropyrimidine-1,2-dicarboxamide Formula: C17H27N5O4S MolecularWeight: 397.49238

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCCN(C1C(=O)NCCN)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCNC(=O)N1CCCN(C1C(=O)NCCN)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H27N5O4S/c1-2-19-17(24)21-11-6-12-22(16(21)15(23)20-10-9-18)27(25,26)13-14-7-4-3-5-8-14/h3-5,7-8,16H,2,6,9-13,18H2,1H3,(H,19,24)(H,20,23)