N-[3-[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoylamino]-4-methyl-phenyl]propanamide

Systemtic Name: N-[3-[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoylamino]-4-methyl-phenyl]propanamide Openeye Name: N-[3-[[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetyl]amino]-4-methyl-phenyl]propanamide CAS Name: N-[3-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-4-methylphenyl]propanamide IUPAC Name: N-[3-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide Traditional Name: N-[3-[[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetyl]amino]-4-methyl-phenyl]propionamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C21H26N4O5S/c1-5-20(27)23-17-7-6-14(2)19(12-17)24-21(28)13-25(4)31(29,30)18-10-8-16(9-11-18)22-15(3)26/h6-12H,5,13H2,1-4H3,(H,22,26)(H,23,27)(H,24,28)