N-[1-(2-azanyl-3-sulfanyl-propyl)-4-naphthalen-1-ylcarbonyl-piperazin-2-yl]-5-(dimethylamino)naphthalene-1-sulfonamide

Systemtic Name: N-[1-(2-azanyl-3-sulfanyl-propyl)-4-naphthalen-1-ylcarbonyl-piperazin-2-yl]-5-(dimethylamino)naphthalene-1-sulfonamide Openeye Name: N-[1-(2-amino-3-sulfanyl-propyl)-4-(naphthalene-1-carbonyl)piperazin-2-yl]-5-(dimethylamino)naphthalene-1-sulfonamide CAS Name: N-[1-(2-amino-3-mercaptopropyl)-4-[1-naphthalenyl(oxo)methyl]-2-piperazinyl]-5-(dimethylamino)-1-naphthalenesulfonamide IUPAC Name: N-[1-(2-amino-3-sulfanylpropyl)-4-(naphthalene-1-carbonyl)piperazin-2-yl]-5-(dimethylamino)naphthalene-1-sulfonamide Traditional Name: N-[1-(2-amino-3-mercapto-propyl)-4-(1-naphthoyl)piperazin-2-yl]-5-(dimethylamino)naphthalene-1-sulfonamide Formula: C30H35N5O3S2 MolecularWeight: 577.7606

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC3CN(CCN3CC(CS)N)C(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC3CN(CCN3CC(CS)N)C(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C30H35N5O3S2/c1-33(2)27-14-6-12-25-24(27)11-7-15-28(25)40(37,38)32-29-19-35(17-16-34(29)18-22(31)20-39)30(36)26-13-5-9-21-8-3-4-10-23(21)26/h3-15,22,29,32,39H,16-20,31H2,1-2H3