[4-[(E)-3-azanyl-3-azanylidene-prop-1-enyl]phenyl] 1-methylsulfonyloxy-4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate

Systemtic Name: [4-[(E)-3-azanyl-3-azanylidene-prop-1-enyl]phenyl] 1-methylsulfonyloxy-4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Openeye Name: [4-[(E)-3-amino-3-imino-prop-1-enyl]phenyl] 4-(benzyloxycarbonylaminomethyl)-1-methylsulfonyloxy-cyclohexanecarboxylate CAS Name: 1-methylsulfonyloxy-4-(phenylmethoxycarbonylaminomethyl)-1-cyclohexanecarboxylic acid [4-[(E)-3-amino-3-iminoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-amino-3-iminoprop-1-enyl]phenyl] 1-methylsulfonyloxy-4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Traditional Name: 4-(benzyloxycarbonylaminomethyl)-1-methylsulfonyloxy-cyclohexanecarboxylic acid [4-[(E)-3-amino-3-imino-prop-1-enyl]phenyl] ester Formula: C26H31N3O7S MolecularWeight: 529.60524

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1(CCC(CC1)CNC(=O)OCC2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)C=CC(=N)N

Isomeric SMILES

CS(=O)(=O)OC1(CCC(CC1)CNC(=O)OCC2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)/C=C/C(=N)N

InChI

InChI=1S/C26H31N3O7S/c1-37(32,33)36-26(24(30)35-22-10-7-19(8-11-22)9-12-23(27)28)15-13-20(14-16-26)17-29-25(31)34-18-21-5-3-2-4-6-21/h2-12,20H,13-18H2,1H3,(H3,27,28)(H,29,31)/b12-9+