phenyl 2-[(4-azanylcyclohexyl)carbamoyl]-3-(3,4-dichlorophenyl)sulfonyl-1,3-diazinane-1-carboxylate

Systemtic Name: phenyl 2-[(4-azanylcyclohexyl)carbamoyl]-3-(3,4-dichlorophenyl)sulfonyl-1,3-diazinane-1-carboxylate Openeye Name: phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3,4-dichlorophenyl)sulfonyl-hexahydropyrimidine-1-carboxylate CAS Name: 2-[[(4-aminocyclohexyl)amino]-oxomethyl]-3-(3,4-dichlorophenyl)sulfonyl-1,3-diazinane-1-carboxylic acid phenyl ester IUPAC Name: phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3,4-dichlorophenyl)sulfonyl-1,3-diazinane-1-carboxylate Traditional Name: 2-[(4-aminocyclohexyl)carbamoyl]-3-(3,4-dichlorophenyl)sulfonyl-hexahydropyrimidine-1-carboxylic acid phenyl ester Formula: C24H28Cl2N4O5S MolecularWeight: 555.47392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)NC3CCC(CC3)N)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)NC3CCC(CC3)N)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H28Cl2N4O5S/c25-20-12-11-19(15-21(20)26)36(33,34)30-14-4-13-29(24(32)35-18-5-2-1-3-6-18)23(30)22(31)28-17-9-7-16(27)8-10-17/h1-3,5-6,11-12,15-17,23H,4,7-10,13-14,27H2,(H,28,31)