2-[3-[[1-(phenylsulfonyl)indol-3-yl]methylamino]propylamino]-1H-quinolin-4-one

Systemtic Name: 2-[3-[[1-(phenylsulfonyl)indol-3-yl]methylamino]propylamino]-1H-quinolin-4-one Openeye Name: 2-[3-[[1-(benzenesulfonyl)indol-3-yl]methylamino]propylamino]-1H-quinolin-4-one CAS Name: 2-[3-[[1-(benzenesulfonyl)-3-indolyl]methylamino]propylamino]-1H-quinolin-4-one IUPAC Name: 2-[3-[[1-(benzenesulfonyl)indol-3-yl]methylamino]propylamino]-1H-quinolin-4-one Traditional Name: 2-[3-[(1-besylindol-3-yl)methylamino]propylamino]-4-quinolone Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CNCCCNC4=CC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CNCCCNC4=CC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C27H26N4O3S/c32-26-17-27(30-24-13-6-4-12-23(24)26)29-16-8-15-28-18-20-19-31(25-14-7-5-11-22(20)25)35(33,34)21-9-2-1-3-10-21/h1-7,9-14,17,19,28H,8,15-16,18H2,(H2,29,30,32)