N-(2-azanylethyl)-1-(2-chloranylpyridin-3-yl)carbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(2-chloranylpyridin-3-yl)carbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(2-chloropyridine-3-carbonyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(2-chloro-3-pyridinyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(2-chloropyridine-3-carbonyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(2-chloronicotinoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide Formula: C17H20ClN5O4S2 MolecularWeight: 457.9548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCN)C(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCN)C(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C17H20ClN5O4S2/c18-14-12(4-1-7-20-14)17(25)22-9-3-10-23(16(22)15(24)21-8-6-19)29(26,27)13-5-2-11-28-13/h1-2,4-5,7,11,16H,3,6,8-10,19H2,(H,21,24)