6-[[(4-indol-1-ylsulfonylphenyl)-prop-2-ynyl-amino]methyl]-2-methyl-1H-quinazolin-4-one

Systemtic Name: 6-[[(4-indol-1-ylsulfonylphenyl)-prop-2-ynyl-amino]methyl]-2-methyl-1H-quinazolin-4-one Openeye Name: 6-[(4-indol-1-ylsulfonyl-N-prop-2-ynyl-anilino)methyl]-2-methyl-1H-quinazolin-4-one CAS Name: 6-[[4-(1-indolylsulfonyl)-N-prop-2-ynylanilino]methyl]-2-methyl-1H-quinazolin-4-one IUPAC Name: 6-[(4-indol-1-ylsulfonyl-N-prop-2-ynylanilino)methyl]-2-methyl-1H-quinazolin-4-one Traditional Name: 6-[(4-indol-1-ylsulfonyl-N-propargyl-anilino)methyl]-2-methyl-1H-quinazolin-4-one Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)S(=O)(=O)N4C=CC5=CC=CC=C54

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)S(=O)(=O)N4C=CC5=CC=CC=C54

InChI

InChI=1S/C27H22N4O3S/c1-3-15-30(18-20-8-13-25-24(17-20)27(32)29-19(2)28-25)22-9-11-23(12-10-22)35(33,34)31-16-14-21-6-4-5-7-26(21)31/h1,4-14,16-17H,15,18H2,2H3,(H,28,29,32)