methyl 3-[[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]methyl]benzoate

Systemtic Name: methyl 3-[[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]methyl]benzoate Openeye Name: methyl 3-[[4-methyl-3-(1-piperidylsulfonyl)anilino]methyl]benzoate CAS Name: 3-[[4-methyl-3-(1-piperidinylsulfonyl)anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-methyl-3-piperidin-1-ylsulfonylanilino)methyl]benzoate Traditional Name: 3-[(4-methyl-3-piperidinosulfonyl-anilino)methyl]benzoic acid methyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NCC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N2O4S/c1-16-9-10-19(14-20(16)28(25,26)23-11-4-3-5-12-23)22-15-17-7-6-8-18(13-17)21(24)27-2/h6-10,13-14,22H,3-5,11-12,15H2,1-2H3