(4-chloranyl-1-methyl-pyrrol-2-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: (4-chloranyl-1-methyl-pyrrol-2-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: (4-chloro-1-methyl-pyrrol-2-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: (4-chloro-1-methyl-2-pyrrolyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: (4-chloro-1-methylpyrrol-2-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: (4-chloro-1-methyl-pyrrol-2-yl)-(4-mesyl-1,4-diazepan-1-yl)methanone Formula: C12H18ClN3O3S MolecularWeight: 319.80762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N2CCCN(CC2)S(=O)(=O)C)Cl

Isomeric SMILES

CN1C=C(C=C1C(=O)N2CCCN(CC2)S(=O)(=O)C)Cl

InChI

InChI=1S/C12H18ClN3O3S/c1-14-9-10(13)8-11(14)12(17)15-4-3-5-16(7-6-15)20(2,18)19/h8-9H,3-7H2,1-2H3