N-[3-(tert-butylsulfonylmethyl)-4-(phenylmethoxycarbonylamino)cyclohexyl]carbamate

Systemtic Name: N-[3-(tert-butylsulfonylmethyl)-4-(phenylmethoxycarbonylamino)cyclohexyl]carbamate Openeye Name: N-[4-(benzyloxycarbonylamino)-3-(tert-butylsulfonylmethyl)cyclohexyl]carbamate CAS Name: N-[3-(tert-butylsulfonylmethyl)-4-(phenylmethoxycarbonylamino)cyclohexyl]carbamate IUPAC Name: N-[3-(tert-butylsulfonylmethyl)-4-(phenylmethoxycarbonylamino)cyclohexyl]carbamate Traditional Name: N-[4-(benzyloxycarbonylamino)-3-(tert-butylsulfonylmethyl)cyclohexyl]carbamate Formula: C20H29N2O6S- MolecularWeight: 425.51906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)CC1CC(CCC1NC(=O)OCC2=CC=CC=C2)NC(=O)[O-]

Isomeric SMILES

CC(C)(C)S(=O)(=O)CC1CC(CCC1NC(=O)OCC2=CC=CC=C2)NC(=O)[O-]

InChI

InChI=1S/C20H30N2O6S/c1-20(2,3)29(26,27)13-15-11-16(21-18(23)24)9-10-17(15)22-19(25)28-12-14-7-5-4-6-8-14/h4-8,15-17,21H,9-13H2,1-3H3,(H,22,25)(H,23,24)/p-1