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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(5-chloranylthiophen-2-yl)sulfonyl-3-(3-methoxyphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-[(5-chloro-2-thienyl)sulfonyl]-3-(3-methoxybenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(5-chloro-2-thiophenyl)sulfonyl]-3-[(3-methoxyphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-methoxybenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-[(5-chloro-2-thienyl)sulfonyl]-3-m-anisoyl-hexahydropyrimidine-2-carboxamide Formula: C23H29ClN4O5S2 MolecularWeight: 541.08316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C23H29ClN4O5S2/c1-33-18-5-2-4-15(14-18)23(30)27-12-3-13-28(35(31,32)20-11-10-19(24)34-20)22(27)21(29)26-17-8-6-16(25)7-9-17/h2,4-5,10-11,14,16-17,22H,3,6-9,12-13,25H2,1H3,(H,26,29)