N-(2-azanylethyl)-1-(6-chloranylpyridin-3-yl)carbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(6-chloranylpyridin-3-yl)carbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(6-chloropyridine-3-carbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(6-chloro-3-pyridinyl)-oxomethyl]-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(6-chloropyridine-3-carbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(6-chloronicotinoyl)hexahydropyrimidine-2-carboxamide Formula: C20H24ClN5O4S MolecularWeight: 465.95366

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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=CN=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN5O4S/c21-17-8-7-16(13-24-17)20(28)25-11-4-12-26(19(25)18(27)23-10-9-22)31(29,30)14-15-5-2-1-3-6-15/h1-3,5-8,13,19H,4,9-12,14,22H2,(H,23,27)