ethyl N-[[3-(butylamino)-4-phenoxy-5-sulfamoyl-phenyl]methyl]-N-(phenylmethyl)carbamate

Systemtic Name: ethyl N-[[3-(butylamino)-4-phenoxy-5-sulfamoyl-phenyl]methyl]-N-(phenylmethyl)carbamate Openeye Name: ethyl N-benzyl-N-[[3-(butylamino)-4-phenoxy-5-sulfamoyl-phenyl]methyl]carbamate CAS Name: N-[[3-(butylamino)-4-phenoxy-5-sulfamoylphenyl]methyl]-N-(phenylmethyl)carbamic acid ethyl ester IUPAC Name: ethyl N-benzyl-N-[[3-(butylamino)-4-phenoxy-5-sulfamoylphenyl]methyl]carbamate Traditional Name: N-benzyl-N-[3-(butylamino)-4-phenoxy-5-sulfamoyl-benzyl]carbamic acid ethyl ester Formula: C27H33N3O5S MolecularWeight: 511.63302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)CN(CC2=CC=CC=C2)C(=O)OCC)S(=O)(=O)N)OC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)CN(CC2=CC=CC=C2)C(=O)OCC)S(=O)(=O)N)OC3=CC=CC=C3

InChI

InChI=1S/C27H33N3O5S/c1-3-5-16-29-24-17-22(20-30(27(31)34-4-2)19-21-12-8-6-9-13-21)18-25(36(28,32)33)26(24)35-23-14-10-7-11-15-23/h6-15,17-18,29H,3-5,16,19-20H2,1-2H3,(H2,28,32,33)