methyl N-[4-[4-[(2-methylphenyl)carbamoyl]piperidin-1-yl]sulfonylphenyl]carbamate

Systemtic Name: methyl N-[4-[4-[(2-methylphenyl)carbamoyl]piperidin-1-yl]sulfonylphenyl]carbamate Openeye Name: methyl N-[4-[[4-(o-tolylcarbamoyl)-1-piperidyl]sulfonyl]phenyl]carbamate CAS Name: N-[4-[[4-[(2-methylanilino)-oxomethyl]-1-piperidinyl]sulfonyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-[4-[(2-methylphenyl)carbamoyl]piperidin-1-yl]sulfonylphenyl]carbamate Traditional Name: N-[4-[4-(o-tolylcarbamoyl)piperidino]sulfonylphenyl]carbamic acid methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)OC

InChI

InChI=1S/C21H25N3O5S/c1-15-5-3-4-6-19(15)23-20(25)16-11-13-24(14-12-16)30(27,28)18-9-7-17(8-10-18)22-21(26)29-2/h3-10,16H,11-14H2,1-2H3,(H,22,26)(H,23,25)