methyl 3-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoylamino]benzoate

Systemtic Name: methyl 3-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoylamino]benzoate Openeye Name: methyl 3-[[4-(1-piperidylsulfonyl)phenyl]methylcarbamoylamino]benzoate CAS Name: 3-[[oxo-[[4-(1-piperidinylsulfonyl)phenyl]methylamino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoylamino]benzoate Traditional Name: 3-[(4-piperidinosulfonylbenzyl)carbamoylamino]benzoic acid methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25N3O5S/c1-29-20(25)17-6-5-7-18(14-17)23-21(26)22-15-16-8-10-19(11-9-16)30(27,28)24-12-3-2-4-13-24/h5-11,14H,2-4,12-13,15H2,1H3,(H2,22,23,26)