N-[3-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[(2S)-2-(p-tolylsulfonylamino)propanoyl]amino]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-1-oxopropyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[(2S)-2-(tosylamino)propanoyl]amino]phenyl]thiophene-2-carboxamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H21N3O4S2/c1-14-8-10-18(11-9-14)30(27,28)24-15(2)20(25)22-16-5-3-6-17(13-16)23-21(26)19-7-4-12-29-19/h3-13,15,24H,1-2H3,(H,22,25)(H,23,26)/t15-/m0/s1