N-[2-[3-[(3,5-dimethylphenyl)-naphthalen-2-ylsulfonyl-amino]propanoylamino]ethyl]-2-methyl-propanamide

Systemtic Name: N-[2-[3-[(3,5-dimethylphenyl)-naphthalen-2-ylsulfonyl-amino]propanoylamino]ethyl]-2-methyl-propanamide Openeye Name: N-[2-[3-[3,5-dimethyl-N-(2-naphthylsulfonyl)anilino]propanoylamino]ethyl]-2-methyl-propanamide CAS Name: N-[2-[[3-[3,5-dimethyl-N-(2-naphthalenylsulfonyl)anilino]-1-oxopropyl]amino]ethyl]-2-methylpropanamide IUPAC Name: N-[2-[3-(3,5-dimethyl-N-naphthalen-2-ylsulfonylanilino)propanoylamino]ethyl]-2-methylpropanamide Traditional Name: N-[2-[3-[3,5-dimethyl-N-(2-naphthylsulfonyl)anilino]propanoylamino]ethyl]-2-methyl-propionamide Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC(=O)NCCNC(=O)C(C)C)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC(=O)NCCNC(=O)C(C)C)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C27H33N3O4S/c1-19(2)27(32)29-13-12-28-26(31)11-14-30(24-16-20(3)15-21(4)17-24)35(33,34)25-10-9-22-7-5-6-8-23(22)18-25/h5-10,15-19H,11-14H2,1-4H3,(H,28,31)(H,29,32)