N-(2-azanylethyl)-1-(4-chlorophenyl)carbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(4-chlorophenyl)carbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(4-chlorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-chlorophenyl)-oxomethyl]-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(4-chlorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(4-chlorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C21H25ClN4O4S MolecularWeight: 464.9656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NCCN)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NCCN)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN4O4S/c22-18-9-7-17(8-10-18)21(28)25-13-4-14-26(20(25)19(27)24-12-11-23)31(29,30)15-16-5-2-1-3-6-16/h1-3,5-10,20H,4,11-15,23H2,(H,24,27)