N-(4-azanylcyclohexyl)-1-(5-chloranylthiophen-2-yl)sulfonyl-3-(4-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(5-chloranylthiophen-2-yl)sulfonyl-3-(4-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-[(5-chloro-2-thienyl)sulfonyl]-3-(4-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(5-chloro-2-thiophenyl)sulfonyl]-3-[(4-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-[(5-chloro-2-thienyl)sulfonyl]-3-p-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C23H29ClN4O4S2 MolecularWeight: 525.08376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C23H29ClN4O4S2/c1-15-3-5-16(6-4-15)23(30)27-13-2-14-28(34(31,32)20-12-11-19(24)33-20)22(27)21(29)26-18-9-7-17(25)8-10-18/h3-6,11-12,17-18,22H,2,7-10,13-14,25H2,1H3,(H,26,29)