N-(4-azanylcyclohexyl)-1-(3-bromophenyl)carbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-bromophenyl)carbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(3-bromobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3-bromophenyl)-oxomethyl]-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(3-bromobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(3-bromobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C25H31BrN4O4S MolecularWeight: 563.50704

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C25H31BrN4O4S/c26-20-9-4-8-19(16-20)25(32)29-14-5-15-30(35(33,34)17-18-6-2-1-3-7-18)24(29)23(31)28-22-12-10-21(27)11-13-22/h1-4,6-9,16,21-22,24H,5,10-15,17,27H2,(H,28,31)