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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(5-chloranylthiophen-2-yl)sulfonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-[(5-chloro-2-thienyl)sulfonyl]hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(5-chloro-2-thiophenyl)sulfonyl]-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(5-chlorothiophen-2-yl)sulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-[(5-chloro-2-thienyl)sulfonyl]hexahydropyrimidine-2-carboxamide Formula: C22H29ClN4O5S3 MolecularWeight: 561.13746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)C2=CC=C(S2)Cl)C(=O)NC3CCC(CC3)N)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC=C(S2)Cl)C(=O)NC3CCC(CC3)N)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H29ClN4O5S3/c23-19-11-12-20(33-19)35(31,32)27-14-4-13-26(34(29,30)15-16-5-2-1-3-6-16)22(27)21(28)25-18-9-7-17(24)8-10-18/h1-3,5-6,11-12,17-18,22H,4,7-10,13-15,24H2,(H,25,28)