(4-methylsulfonyl-1,4-diazepan-1-yl)-(5-nitro-1-benzothiophen-2-yl)methanone

Systemtic Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(5-nitro-1-benzothiophen-2-yl)methanone Openeye Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(5-nitrobenzothiophen-2-yl)methanone CAS Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(5-nitro-1-benzothiophen-2-yl)methanone IUPAC Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(5-nitro-1-benzothiophen-2-yl)methanone Traditional Name: (4-mesyl-1,4-diazepan-1-yl)-(5-nitrobenzothiophen-2-yl)methanone Formula: C15H17N3O5S2 MolecularWeight: 383.44258

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O5S2/c1-25(22,23)17-6-2-5-16(7-8-17)15(19)14-10-11-9-12(18(20)21)3-4-13(11)24-14/h3-4,9-10H,2,5-8H2,1H3