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

Systemtic Name: N-(2-azanylethyl)-1-(3-cyclopentylpropanoyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(3-cyclopentylpropanoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-(3-cyclopentyl-1-oxopropyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(3-cyclopentylpropanoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(3-cyclopentylpropanoyl)hexahydropyrimidine-2-carboxamide Formula: C22H34N4O4S MolecularWeight: 450.59476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)CCC(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H34N4O4S/c23-13-14-24-21(28)22-25(20(27)12-11-18-7-4-5-8-18)15-6-16-26(22)31(29,30)17-19-9-2-1-3-10-19/h1-3,9-10,18,22H,4-8,11-17,23H2,(H,24,28)