N-[5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]-2-(2-methylpropylamino)-3-naphthalen-2-yl-propanamide

Systemtic Name: N-[5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]-2-(2-methylpropylamino)-3-naphthalen-2-yl-propanamide Openeye Name: N-[5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]-2-(isobutylamino)-3-(2-naphthyl)propanamide CAS Name: N-[5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-2-(2-methylpropylamino)-3-(2-naphthalenyl)propanamide IUPAC Name: N-[5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-2-(2-methylpropylamino)-3-naphthalen-2-ylpropanamide Traditional Name: N-[6-hydroxy-5-[isobutyl(sulfanilyl)amino]hexyl]-2-(isobutylamino)-3-(2-naphthyl)propionamide Formula: C33H48N4O4S MolecularWeight: 596.82362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(CC1=CC2=CC=CC=C2C=C1)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CC(C)CNC(CC1=CC2=CC=CC=C2C=C1)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C33H48N4O4S/c1-24(2)21-36-32(20-26-12-13-27-9-5-6-10-28(27)19-26)33(39)35-18-8-7-11-30(23-38)37(22-25(3)4)42(40,41)31-16-14-29(34)15-17-31/h5-6,9-10,12-17,19,24-25,30,32,36,38H,7-8,11,18,20-23,34H2,1-4H3,(H,35,39)