[2-[(2-azanyl-5-cyano-phenyl)methyl-thiophen-2-ylsulfonyl-amino]-3-phenyl-propyl] methanesulfonate

Systemtic Name: [2-[(2-azanyl-5-cyano-phenyl)methyl-thiophen-2-ylsulfonyl-amino]-3-phenyl-propyl] methanesulfonate Openeye Name: [2-[(2-amino-5-cyano-phenyl)methyl-(2-thienylsulfonyl)amino]-3-phenyl-propyl] methanesulfonate CAS Name: methanesulfonic acid [2-[(2-amino-5-cyanophenyl)methyl-thiophen-2-ylsulfonylamino]-3-phenylpropyl] ester IUPAC Name: [2-[(2-amino-5-cyanophenyl)methyl-thiophen-2-ylsulfonylamino]-3-phenylpropyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[(2-amino-5-cyano-benzyl)-(2-thienylsulfonyl)amino]-3-phenyl-propyl] ester Formula: C22H23N3O5S3 MolecularWeight: 505.63012

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC(CC1=CC=CC=C1)N(CC2=C(C=CC(=C2)C#N)N)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)OCC(CC1=CC=CC=C1)N(CC2=C(C=CC(=C2)C#N)N)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H23N3O5S3/c1-32(26,27)30-16-20(13-17-6-3-2-4-7-17)25(33(28,29)22-8-5-11-31-22)15-19-12-18(14-23)9-10-21(19)24/h2-12,20H,13,15-16,24H2,1H3