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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-cyclopentylpropanoyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(3-cyclopentylpropanoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-(3-cyclopentyl-1-oxopropyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(3-cyclopentylpropanoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(3-cyclopentylpropanoyl)hexahydropyrimidine-2-carboxamide Formula: C26H40N4O4S MolecularWeight: 504.6852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)CCC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H40N4O4S/c27-22-12-14-23(15-13-22)28-25(32)26-29(24(31)16-11-20-7-4-5-8-20)17-6-18-30(26)35(33,34)19-21-9-2-1-3-10-21/h1-3,9-10,20,22-23,26H,4-8,11-19,27H2,(H,28,32)