azepan-1-yl-(3-thiophen-2-ylsulfonyliminonaphthalen-2-ylidene)methanolate

Systemtic Name: azepan-1-yl-(3-thiophen-2-ylsulfonyliminonaphthalen-2-ylidene)methanolate Openeye Name: azepan-1-yl-[3-(2-thienylsulfonylimino)-2-naphthylidene]methanolate CAS Name: 1-azepanyl-(3-thiophen-2-ylsulfonylimino-2-naphthalenylidene)methanolate IUPAC Name: azepan-1-yl-(3-thiophen-2-ylsulfonyliminonaphthalen-2-ylidene)methanolate Traditional Name: azepan-1-yl-[3-(2-thienylsulfonylimino)-2-naphthylidene]methanolate Formula: C21H21N2O3S2- MolecularWeight: 413.53304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=C2C=C3C=CC=CC3=CC2=NS(=O)(=O)C4=CC=CS4)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=C2C=C3C=CC=CC3=CC2=NS(=O)(=O)C4=CC=CS4)[O-]

InChI

InChI=1S/C21H22N2O3S2/c24-21(23-11-5-1-2-6-12-23)18-14-16-8-3-4-9-17(16)15-19(18)22-28(25,26)20-10-7-13-27-20/h3-4,7-10,13-15,24H,1-2,5-6,11-12H2/p-1