N-[3-[bis(2-hydroxyethyl)amino]propyl]-9-[(4-sulfamoylphenyl)amino]acridine-4-carboxamide

Systemtic Name: N-[3-[bis(2-hydroxyethyl)amino]propyl]-9-[(4-sulfamoylphenyl)amino]acridine-4-carboxamide Openeye Name: N-[3-[bis(2-hydroxyethyl)amino]propyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide CAS Name: N-[3-[bis(2-hydroxyethyl)amino]propyl]-9-(4-sulfamoylanilino)-4-acridinecarboxamide IUPAC Name: N-[3-[bis(2-hydroxyethyl)amino]propyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide Traditional Name: N-[3-[bis(2-hydroxyethyl)amino]propyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide Formula: C27H31N5O5S MolecularWeight: 537.63054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCCN(CCO)CCO)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCCN(CCO)CCO)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C27H31N5O5S/c28-38(36,37)20-11-9-19(10-12-20)30-25-21-5-1-2-8-24(21)31-26-22(25)6-3-7-23(26)27(35)29-13-4-14-32(15-17-33)16-18-34/h1-3,5-12,33-34H,4,13-18H2,(H,29,35)(H,30,31)(H2,28,36,37)