2-azanyl-6-chloranyl-7-(4-chlorophenyl)-8-octylsulfonyl-4-oxidanylidene-N-(phenylcarbamoyl)-1H-pyrrolo[1,2-a]pyrimidine-3-carboxamide

Systemtic Name: 2-azanyl-6-chloranyl-7-(4-chlorophenyl)-8-octylsulfonyl-4-oxidanylidene-N-(phenylcarbamoyl)-1H-pyrrolo[1,2-a]pyrimidine-3-carboxamide Openeye Name: 2-amino-6-chloro-7-(4-chlorophenyl)-8-octylsulfonyl-4-oxo-N-(phenylcarbamoyl)-1H-pyrrolo[1,2-a]pyrimidine-3-carboxamide CAS Name: 2-amino-N-[anilino(oxo)methyl]-6-chloro-7-(4-chlorophenyl)-8-octylsulfonyl-4-oxo-1H-pyrrolo[1,2-a]pyrimidine-3-carboxamide IUPAC Name: 2-amino-6-chloro-7-(4-chlorophenyl)-8-octylsulfonyl-4-oxo-N-(phenylcarbamoyl)-1H-pyrrolo[1,2-a]pyrimidine-3-carboxamide Traditional Name: 2-amino-6-chloro-7-(4-chlorophenyl)-4-keto-8-octylsulfonyl-N-(phenylcarbamoyl)-1H-pyrrolo[1,2-a]pyrimidine-3-carboxamide Formula: C29H31Cl2N5O5S MolecularWeight: 632.55794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)C1=C2NC(=C(C(=O)N2C(=C1C3=CC=C(C=C3)Cl)Cl)C(=O)NC(=O)NC4=CC=CC=C4)N

Isomeric SMILES

CCCCCCCCS(=O)(=O)C1=C2NC(=C(C(=O)N2C(=C1C3=CC=C(C=C3)Cl)Cl)C(=O)NC(=O)NC4=CC=CC=C4)N

InChI

InChI=1S/C29H31Cl2N5O5S/c1-2-3-4-5-6-10-17-42(40,41)23-21(18-13-15-19(30)16-14-18)24(31)36-26(23)34-25(32)22(28(36)38)27(37)35-29(39)33-20-11-8-7-9-12-20/h7-9,11-16,34H,2-6,10,17,32H2,1H3,(H2,33,35,37,39)