N-bromanyl-N-(phenylmethyl)-3-propan-2-ylsulfonyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide

Systemtic Name: N-bromanyl-N-(phenylmethyl)-3-propan-2-ylsulfonyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide Openeye Name: N-benzyl-N-bromo-3-isopropylsulfonyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide CAS Name: N-bromo-N-(phenylmethyl)-3-propan-2-ylsulfonyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide IUPAC Name: N-benzyl-N-bromo-3-propan-2-ylsulfonyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide Traditional Name: N-benzyl-N-bromo-3-isopropylsulfonyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide Formula: C22H24BrN3O3S MolecularWeight: 490.41326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CC(N2C1=NC3=CC=CC=C3C2)C(=O)N(CC4=CC=CC=C4)Br

Isomeric SMILES

CC(C)S(=O)(=O)C1CC(N2C1=NC3=CC=CC=C3C2)C(=O)N(CC4=CC=CC=C4)Br

InChI

InChI=1S/C22H24BrN3O3S/c1-15(2)30(28,29)20-12-19(22(27)26(23)13-16-8-4-3-5-9-16)25-14-17-10-6-7-11-18(17)24-21(20)25/h3-11,15,19-20H,12-14H2,1-2H3