N-(2-azanylethyl)-1-(4-tert-butylphenyl)carbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(4-tert-butylphenyl)carbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(4-tert-butylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-tert-butylphenyl)-oxomethyl]-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(4-tert-butylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(4-tert-butylbenzoyl)hexahydropyrimidine-2-carboxamide Formula: C25H34N4O4S MolecularWeight: 486.62686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O4S/c1-25(2,3)21-12-10-20(11-13-21)24(31)28-16-7-17-29(23(28)22(30)27-15-14-26)34(32,33)18-19-8-5-4-6-9-19/h4-6,8-13,23H,7,14-18,26H2,1-3H3,(H,27,30)