3-[(4-azanyl-3-chloranyl-phenyl)sulfonyl-[6-(3-naphthalen-2-ylpropanoylamino)-1-oxidanyl-hexan-2-yl]amino]-2-methyl-propanamide

Systemtic Name: 3-[(4-azanyl-3-chloranyl-phenyl)sulfonyl-[6-(3-naphthalen-2-ylpropanoylamino)-1-oxidanyl-hexan-2-yl]amino]-2-methyl-propanamide Openeye Name: 3-[(4-amino-3-chloro-phenyl)sulfonyl-[1-(hydroxymethyl)-5-[3-(2-naphthyl)propanoylamino]pentyl]amino]-2-methyl-propanamide CAS Name: 3-[(4-amino-3-chlorophenyl)sulfonyl-[1-hydroxy-6-[[3-(2-naphthalenyl)-1-oxopropyl]amino]hexan-2-yl]amino]-2-methylpropanamide IUPAC Name: 3-[(4-amino-3-chlorophenyl)sulfonyl-[1-hydroxy-6-(3-naphthalen-2-ylpropanoylamino)hexan-2-yl]amino]-2-methylpropanamide Traditional Name: 3-[(4-amino-3-chloro-phenyl)sulfonyl-[1-methylol-5-[3-(2-naphthyl)propanoylamino]pentyl]amino]-2-methyl-propionamide Formula: C29H37ClN4O5S MolecularWeight: 589.14588

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C(CCCCNC(=O)CCC1=CC2=CC=CC=C2C=C1)CO)S(=O)(=O)C3=CC(=C(C=C3)N)Cl)C(=O)N

Isomeric SMILES

CC(CN(C(CCCCNC(=O)CCC1=CC2=CC=CC=C2C=C1)CO)S(=O)(=O)C3=CC(=C(C=C3)N)Cl)C(=O)N

InChI

InChI=1S/C29H37ClN4O5S/c1-20(29(32)37)18-34(40(38,39)25-12-13-27(31)26(30)17-25)24(19-35)8-4-5-15-33-28(36)14-10-21-9-11-22-6-2-3-7-23(22)16-21/h2-3,6-7,9,11-13,16-17,20,24,35H,4-5,8,10,14-15,18-19,31H2,1H3,(H2,32,37)(H,33,36)