N-(4-azanylcyclohexyl)-1-(3-bromophenyl)carbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-bromophenyl)carbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3-bromophenyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide Formula: C22H27BrN4O4S2 MolecularWeight: 555.50818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H27BrN4O4S2/c23-16-5-1-4-15(14-16)22(29)26-11-3-12-27(33(30,31)19-6-2-13-32-19)21(26)20(28)25-18-9-7-17(24)8-10-18/h1-2,4-6,13-14,17-18,21H,3,7-12,24H2,(H,25,28)