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

Systemtic Name: N-(2-azanylethyl)-1-(3-methylphenyl)carbonyl-3-propylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-methylbenzoyl)-3-propylsulfonyl-hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-methylphenyl)-oxomethyl]-3-propylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-methylbenzoyl)-3-propylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-m-toluoyl-3-propylsulfonyl-hexahydropyrimidine-2-carboxamide Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCN(C1C(=O)NCCN)C(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCCS(=O)(=O)N1CCCN(C1C(=O)NCCN)C(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C18H28N4O4S/c1-3-12-27(25,26)22-11-5-10-21(17(22)16(23)20-9-8-19)18(24)15-7-4-6-14(2)13-15/h4,6-7,13,17H,3,5,8-12,19H2,1-2H3,(H,20,23)