N-[(5-chloranylthiophen-2-yl)methyl]-3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanamide

Systemtic Name: N-[(5-chloranylthiophen-2-yl)methyl]-3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanamide Openeye Name: N-[(5-chloro-2-thienyl)methyl]-3-[N-(p-tolylsulfonyl)anilino]propanamide CAS Name: N-[(5-chloro-2-thiophenyl)methyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide IUPAC Name: N-[(5-chlorothiophen-2-yl)methyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide Traditional Name: N-[(5-chloro-2-thienyl)methyl]-3-(N-tosylanilino)propionamide Formula: C21H21ClN2O3S2 MolecularWeight: 448.98604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCC2=CC=C(S2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCC2=CC=C(S2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O3S2/c1-16-7-10-19(11-8-16)29(26,27)24(17-5-3-2-4-6-17)14-13-21(25)23-15-18-9-12-20(22)28-18/h2-12H,13-15H2,1H3,(H,23,25)