1-(4-tert-butylphenyl)sulfonyl-4-methoxy-4-thiophen-2-yl-azepane

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-4-methoxy-4-thiophen-2-yl-azepane Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-4-methoxy-4-(2-thienyl)azepane CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-methoxy-4-thiophen-2-ylazepane IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-4-methoxy-4-thiophen-2-ylazepane Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-4-methoxy-4-(2-thienyl)azepane Formula: C21H29NO3S2 MolecularWeight: 407.58986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(CC2)(C3=CC=CS3)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(CC2)(C3=CC=CS3)OC

InChI

InChI=1S/C21H29NO3S2/c1-20(2,3)17-8-10-18(11-9-17)27(23,24)22-14-6-12-21(25-4,13-15-22)19-7-5-16-26-19/h5,7-11,16H,6,12-15H2,1-4H3